3-(3,5-dimethylphenyl)-2-methylaniline

C15H17N — CID 107626341

IUPAC3-(3,5-dimethylphenyl)-2-methylaniline
SMILESCc1cc(C)cc(-c2cccc(N)c2C)c1
InChIInChI=1S/C15H17N/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(16)12(14)3/h4-9H,16H2,1-3H3
InChIKeyHJQOEAWJLRJXNT-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.86
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-2-methylaniline

3-(3,5-dimethylphenyl)-2-methylaniline (PubChem CID 107626341) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-methylaniline.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-methylaniline
PubChem CID107626341
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(3,5-dimethylphenyl)-2-methylaniline
SMILESCc1cc(C)cc(-c2cccc(N)c2C)c1
InChIInChI=1S/C15H17N/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(16)12(14)3/h4-9H,16H2,1-3H3
InChIKeyHJQOEAWJLRJXNT-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethylphenyl)-2-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

3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
2-methyl-3-phenylaniline
CID 10511683
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
3-(2,3-dichlorophenyl)-5-methylaniline
CID 107579462
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
3-(4-aminophenyl)-2,5-dimethylaniline
CID 68786442
3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
CID 146475197
3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 55146231
3-(2,5-difluorophenyl)-2-methylaniline
CID 107626523

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-methylaniline?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-methylaniline (CID 107626341) is 3-(3,5-dimethylphenyl)-2-methylaniline.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-methylaniline?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-methylaniline is Cc1cc(C)cc(-c2cccc(N)c2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-methylaniline?
The InChIKey is HJQOEAWJLRJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-10-7-11(2)9-13(8-10)14-5-4-6-15(16)12(14)3/h4-9H,16H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-methylaniline?
3-(3,5-dimethylphenyl)-2-methylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-methylaniline is sourced from PubChem (CID 107626341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).