 |
505 : Summary
Code 
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505
|
One-letter code
|
X
|
Molecule name
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(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
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Systematic names
|
|
Formula
|
C11 H17 N O
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Formal charge
|
0
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Molecular weight
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179.259 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
ACDLabs |
10.04 |
O(c1c(cccc1C)C)CC(N)C |
|
SMILES
|
CACTVS |
3.341 |
C[CH](N)COc1c(C)cccc1C |
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SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1cccc(c1OCC(C)N)C |
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Canonical SMILES
|
CACTVS |
3.341 |
C[C@@H](N)COc1c(C)cccc1C |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1cccc(c1OC[C@@H](C)N)C |
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IUPAC InChI | InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1 |
IUPAC InChI key | VLPIATFUUWWMKC-SNVBAGLBSA-N |
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wwPDB Information |
Atom count
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30 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
|
|
Is modified
|
No
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Standard parent
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Not Assigned
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Defined at
|
2007-12-05
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
