Chemical Components in the PDB

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HMJ : Summary

Code

HMJ

One-letter code

X

Molecule name

2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
OpenEye OEToolkits 2.0.6 2-dibenzofuran-2-yloxy-~{N},~{N}-dimethyl-ethanamine

Formula

C16 H17 N O2

Formal charge

0

Molecular weight

255.312 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
SMILES CACTVS 3.385 CN(C)CCOc1ccc2oc3ccccc3c2c1
SMILES OpenEye OEToolkits 2.0.6 CN(C)CCOc1ccc2c(c1)c3ccccc3o2
Canonical SMILES CACTVS 3.385 CN(C)CCOc1ccc2oc3ccccc3c2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 CN(C)CCOc1ccc2c(c1)c3ccccc3o2

IUPAC InChI

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

GQEGJXFTHBKSKR-UHFFFAOYSA-N
HMJ

wwPDB Information

Atom count

36 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-12

Last modified at

2019-04-05

Status

Released

Obsoleted

Not Assigned