Chemical Components in the PDB

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ZZT : Summary

Code

ZZT

One-letter code

X

Molecule name

2-METHOXY-5-METHYLANILINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methoxy-5-methylaniline
OpenEye OEToolkits 1.6.1 2-methoxy-5-methyl-aniline

Formula

C8 H11 N O

Formal charge

0

Molecular weight

137.179 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(c1ccc(cc1N)C)C
SMILES CACTVS 3.352 COc1ccc(C)cc1N
SMILES OpenEye OEToolkits 1.6.1 Cc1ccc(c(c1)N)OC
Canonical SMILES CACTVS 3.352 COc1ccc(C)cc1N
Canonical SMILES OpenEye OEToolkits 1.6.1 Cc1ccc(c(c1)N)OC

IUPAC InChI

InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3

IUPAC InChI key

WXWCDTXEKCVRRO-UHFFFAOYSA-N
ZZT

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned