Chemical Components in the PDB

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2CM : Summary

Code

2CM

One-letter code

X

Molecule name

2-CHLORO-6-METHYL-ANILINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-chloro-6-methylaniline
OpenEye OEToolkits 1.5.0 2-chloro-6-methyl-aniline

Formula

C7 H8 Cl N

Formal charge

0

Molecular weight

141.598 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1cccc(c1N)C
SMILES CACTVS 3.341 Cc1cccc(Cl)c1N
SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(c1N)Cl
Canonical SMILES CACTVS 3.341 Cc1cccc(Cl)c1N
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccc(c1N)Cl

IUPAC InChI

InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3

IUPAC InChI key

WFNLHDJJZSJARK-UHFFFAOYSA-N
2CM

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned