4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine

C22H24N2 — CID 101290973

IUPAC4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C22H24N2/c1-15-5-12-22(18(4)13-15)24-20-10-8-19(9-11-20)23-21-7-6-16(2)17(3)14-21/h5-14,23-24H,1-4H3
InChIKeyJVZVZAFWTWRJIZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.41
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine

4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine (PubChem CID 101290973) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
PubChem CID101290973
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C22H24N2/c1-15-5-12-22(18(4)13-15)24-20-10-8-19(9-11-20)23-21-7-6-16(2)17(3)14-21/h5-14,23-24H,1-4H3
InChIKeyJVZVZAFWTWRJIZ-UHFFFAOYSA-N
XLogP6.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
4-(2,4-dimethylanilino)benzonitrile
CID 29269980
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
1,2,4-trimethylbenzene
CID 7247
3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
CID 164898383
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline
CID 10476038
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline
CID 20813152
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine (CID 101290973) is 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine is Cc1ccc(Nc2ccc(Nc3ccc(C)c(C)c3)cc2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine?
The InChIKey is JVZVZAFWTWRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-15-5-12-22(18(4)13-15)24-20-10-8-19(9-11-20)23-21-7-6-16(2)17(3)14-21/h5-14,23-24H,1-4H3.
What are the key properties of 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine?
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine has a molecular weight of 316.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 101290973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).