4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine

C19H18N2 — CID 3015360

IUPAC4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccccc1Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H18N2/c1-15-7-5-6-10-19(15)21-18-13-11-17(12-14-18)20-16-8-3-2-4-9-16/h2-14,20-21H,1H3
InChIKeyQFTSXPJTPSOVJG-UHFFFAOYSA-N
MW274.37 g/mol
LogP5.48
Rot. Bonds4

About 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 3015360) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID3015360
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccccc1Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H18N2/c1-15-7-5-6-10-19(15)21-18-13-11-17(12-14-18)20-16-8-3-2-4-9-16/h2-14,20-21H,1H3
InChIKeyQFTSXPJTPSOVJG-UHFFFAOYSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.37
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine (CID 3015360) is 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine is Cc1ccccc1Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is QFTSXPJTPSOVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-15-7-5-6-10-19(15)21-18-13-11-17(12-14-18)20-16-8-3-2-4-9-16/h2-14,20-21H,1H3.
What are the key properties of 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 3015360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).