2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline

C17H22N2O — CID 81300212

IUPAC2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
SMILESCCN(c1cccc(C)c1)c1cc(OC)ccc1CN
InChIInChI=1S/C17H22N2O/c1-4-19(15-7-5-6-13(2)10-15)17-11-16(20-3)9-8-14(17)12-18/h5-11H,4,12,18H2,1-3H3
InChIKeyUJPRXJQIEYNVOS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.62
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline

2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline (PubChem CID 81300212) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
PubChem CID81300212
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
SMILESCCN(c1cccc(C)c1)c1cc(OC)ccc1CN
InChIInChI=1S/C17H22N2O/c1-4-19(15-7-5-6-13(2)10-15)17-11-16(20-3)9-8-14(17)12-18/h5-11H,4,12,18H2,1-3H3
InChIKeyUJPRXJQIEYNVOS-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
CID 107733721
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile
CID 107735253
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
CID 81299543
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline (CID 81300212) is 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline is CCN(c1cccc(C)c1)c1cc(OC)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline?
The InChIKey is UJPRXJQIEYNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-19(15-7-5-6-13(2)10-15)17-11-16(20-3)9-8-14(17)12-18/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline?
2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline is sourced from PubChem (CID 81300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).