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A7N : Summary

Code

A7N

One-letter code

X

Molecule name

(1~{R})-1-(4-ethoxyphenyl)ethanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{R})-1-(4-ethoxyphenyl)ethanamine

Formula

C10 H15 N O

Formal charge

0

Molecular weight

165.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCOc1ccc(cc1)[CH](C)N
SMILES OpenEye OEToolkits 2.0.6 CCOc1ccc(cc1)C(C)N
Canonical SMILES CACTVS 3.385 CCOc1ccc(cc1)[C@@H](C)N
Canonical SMILES OpenEye OEToolkits 2.0.6 CCOc1ccc(cc1)[C@@H](C)N

IUPAC InChI

InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3/t8-/m1/s1

IUPAC InChI key

LQISONQSSGPXMA-MRVPVSSYSA-N
A7N

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-16

Last modified at

2017-10-27

Status

Released

Obsoleted

Not Assigned