4-(4-amino-2-ethylphenyl)-3-methylaniline

C15H18N2 — CID 118326748

IUPAC4-(4-amino-2-ethylphenyl)-3-methylaniline
SMILESCCc1cc(N)ccc1-c1ccc(N)cc1C
InChIInChI=1S/C15H18N2/c1-3-11-9-13(17)5-7-15(11)14-6-4-12(16)8-10(14)2/h4-9H,3,16-17H2,1-2H3
InChIKeyIATKVIZVOBHQJS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.39
Rot. Bonds2

About 4-(4-amino-2-ethylphenyl)-3-methylaniline

4-(4-amino-2-ethylphenyl)-3-methylaniline (PubChem CID 118326748) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(4-amino-2-ethylphenyl)-3-methylaniline.

Molecular Properties

Compound Name4-(4-amino-2-ethylphenyl)-3-methylaniline
PubChem CID118326748
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(4-amino-2-ethylphenyl)-3-methylaniline
SMILESCCc1cc(N)ccc1-c1ccc(N)cc1C
InChIInChI=1S/C15H18N2/c1-3-11-9-13(17)5-7-15(11)14-6-4-12(16)8-10(14)2/h4-9H,3,16-17H2,1-2H3
InChIKeyIATKVIZVOBHQJS-UHFFFAOYSA-N
XLogP3.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-ethylphenyl)-3-methylaniline 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

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
p-Toluidine
CID 7813
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminofluorene
CID 1539
2-Aminoanthracene
CID 11937
2-Aminobiphenyl
CID 7015
1,5-Diaminonaphthalene
CID 16720
3,4-Dimethylaniline
CID 7248

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-ethylphenyl)-3-methylaniline?
The IUPAC name of 4-(4-amino-2-ethylphenyl)-3-methylaniline (CID 118326748) is 4-(4-amino-2-ethylphenyl)-3-methylaniline.
What is the SMILES notation for 4-(4-amino-2-ethylphenyl)-3-methylaniline?
The canonical SMILES for 4-(4-amino-2-ethylphenyl)-3-methylaniline is CCc1cc(N)ccc1-c1ccc(N)cc1C.
What is the InChIKey of 4-(4-amino-2-ethylphenyl)-3-methylaniline?
The InChIKey is IATKVIZVOBHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-11-9-13(17)5-7-15(11)14-6-4-12(16)8-10(14)2/h4-9H,3,16-17H2,1-2H3.
What are the key properties of 4-(4-amino-2-ethylphenyl)-3-methylaniline?
4-(4-amino-2-ethylphenyl)-3-methylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-ethylphenyl)-3-methylaniline is sourced from PubChem (CID 118326748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).