4-(3,4-dimethylphenyl)-2-ethylaniline

C16H19N — CID 81287148

IUPAC4-(3,4-dimethylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1N
InChIInChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyUOGZRCFHZNTOQR-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.12
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-2-ethylaniline

4-(3,4-dimethylphenyl)-2-ethylaniline (PubChem CID 81287148) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-ethylaniline.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-ethylaniline
PubChem CID81287148
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4-(3,4-dimethylphenyl)-2-ethylaniline
SMILESCCc1cc(-c2ccc(C)c(C)c2)ccc1N
InChIInChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyUOGZRCFHZNTOQR-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,4-dimethylphenyl)-2-ethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-ethylaniline?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-ethylaniline (CID 81287148) is 4-(3,4-dimethylphenyl)-2-ethylaniline.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-ethylaniline?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-ethylaniline is CCc1cc(-c2ccc(C)c(C)c2)ccc1N.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-ethylaniline?
The InChIKey is UOGZRCFHZNTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-4-13-10-15(7-8-16(13)17)14-6-5-11(2)12(3)9-14/h5-10H,4,17H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-ethylaniline?
4-(3,4-dimethylphenyl)-2-ethylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-ethylaniline is sourced from PubChem (CID 81287148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).