3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine

C23H26N2 — CID 54253923

IUPAC3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(-c2c(C)c(C)c(-c3cccc(C)c3C)c(N)c2N)cc1
InChIInChI=1S/C23H26N2/c1-13-9-11-18(12-10-13)20-16(4)17(5)21(23(25)22(20)24)19-8-6-7-14(2)15(19)3/h6-12H,24-25H2,1-5H3
InChIKeyQYRSECYDJWEPBS-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.73
Rot. Bonds2

About 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine

3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 54253923) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine
PubChem CID54253923
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(-c2c(C)c(C)c(-c3cccc(C)c3C)c(N)c2N)cc1
InChIInChI=1S/C23H26N2/c1-13-9-11-18(12-10-13)20-16(4)17(5)21(23(25)22(20)24)19-8-6-7-14(2)15(19)3/h6-12H,24-25H2,1-5H3
InChIKeyQYRSECYDJWEPBS-UHFFFAOYSA-N
XLogP5.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine (CID 54253923) is 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(-c2c(C)c(C)c(-c3cccc(C)c3C)c(N)c2N)cc1.
What is the InChIKey of 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is QYRSECYDJWEPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-13-9-11-18(12-10-13)20-16(4)17(5)21(23(25)22(20)24)19-8-6-7-14(2)15(19)3/h6-12H,24-25H2,1-5H3.
What are the key properties of 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine?
3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 330.48 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-4,5-dimethyl-6-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 54253923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).