4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

C17H22N2 — CID 60929448

IUPAC4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CN)cc1C
InChIInChI=1S/C17H22N2/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12,18H2,1-3H3
InChIKeyBHLAFDWKJJDCKG-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.92
Rot. Bonds4

About 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 60929448) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
PubChem CID60929448
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CN)cc1C
InChIInChI=1S/C17H22N2/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12,18H2,1-3H3
InChIKeyBHLAFDWKJJDCKG-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-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

4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
CID 60930044
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
CID 81249174
4-(aminomethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 78924406

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (CID 60929448) is 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is BHLAFDWKJJDCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 254.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 60929448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).