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HMJ : Summary
Code ![](/pdbe/static/images/help.png)
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HMJ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C16 H17 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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255.312 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3 |
SMILES
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CACTVS |
3.385 |
CN(C)CCOc1ccc2oc3ccccc3c2c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(C)CCOc1ccc2c(c1)c3ccccc3o2 |
Canonical SMILES
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CACTVS |
3.385 |
CN(C)CCOc1ccc2oc3ccccc3c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CN(C)CCOc1ccc2c(c1)c3ccccc3o2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GQEGJXFTHBKSKR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-07-12
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Last modified at ![](/pdbe/static/images/help.png)
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2019-04-05
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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