4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline

C17H22N2 — CID 55209345

IUPAC4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)cc2C)cc1
InChIInChI=1S/C17H22N2/c1-4-14-5-8-16(9-6-14)19(3)17-10-7-15(12-18)11-13(17)2/h5-11H,4,12,18H2,1-3H3
InChIKeyNSNYIQAQWTYXEW-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.78
Rot. Bonds4

About 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline

4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline (PubChem CID 55209345) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
PubChem CID55209345
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)cc2C)cc1
InChIInChI=1S/C17H22N2/c1-4-14-5-8-16(9-6-14)19(3)17-10-7-15(12-18)11-13(17)2/h5-11H,4,12,18H2,1-3H3
InChIKeyNSNYIQAQWTYXEW-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline 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

4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
CID 60930044
[4-(4-fluoro-N-methylanilino)-3-methylphenyl]methanol
CID 62120345
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline (CID 55209345) is 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline is CCc1ccc(N(C)c2ccc(CN)cc2C)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline?
The InChIKey is NSNYIQAQWTYXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-5-8-16(9-6-14)19(3)17-10-7-15(12-18)11-13(17)2/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline?
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 55209345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).