3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline

C22H23N — CID 164898383

IUPAC3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccccc3C)cc2C)cc1C
InChIInChI=1S/C22H23N/c1-15-9-11-20(14-17(15)3)23-22-12-10-19(13-18(22)4)21-8-6-5-7-16(21)2/h5-14,23H,1-4H3
InChIKeyWCDFUGJVVGWPID-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.33
Rot. Bonds3

About 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline

3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline (PubChem CID 164898383) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
PubChem CID164898383
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
SMILESCc1ccc(Nc2ccc(-c3ccccc3C)cc2C)cc1C
InChIInChI=1S/C22H23N/c1-15-9-11-20(14-17(15)3)23-22-12-10-19(13-18(22)4)21-8-6-5-7-16(21)2/h5-14,23H,1-4H3
InChIKeyWCDFUGJVVGWPID-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]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

2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 101290973
2-[[4-[2-methyl-4-(2-methylphenyl)anilino]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 163735487
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
2-methyl-1-N-[4-[N-methyl-4-[2-methyl-4-(2-methylanilino)anilino]anilino]phenyl]-4-N-(2-methylphenyl)benzene-1,4-diamine
CID 170570846
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
CID 143079541
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline
CID 10476038

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline (CID 164898383) is 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline is Cc1ccc(Nc2ccc(-c3ccccc3C)cc2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline?
The InChIKey is WCDFUGJVVGWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-15-9-11-20(14-17(15)3)23-22-12-10-19(13-18(22)4)21-8-6-5-7-16(21)2/h5-14,23H,1-4H3.
What are the key properties of 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline?
3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline has a molecular weight of 301.43 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline is sourced from PubChem (CID 164898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).