4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine

C20H20N2 — CID 139604467

IUPAC4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C20H20N2/c1-15-8-9-20(14-16(15)2)22-19-12-10-18(11-13-19)21-17-6-4-3-5-7-17/h3-14,21-22H,1-2H3
InChIKeyNYBIAXQWKYBVHP-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.79
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 139604467) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID139604467
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C20H20N2/c1-15-8-9-20(14-16(15)2)22-19-12-10-18(11-13-19)21-17-6-4-3-5-7-17/h3-14,21-22H,1-2H3
InChIKeyNYBIAXQWKYBVHP-UHFFFAOYSA-N
XLogP5.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine (CID 139604467) is 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine is Cc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is NYBIAXQWKYBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-15-8-9-20(14-16(15)2)22-19-12-10-18(11-13-19)21-17-6-4-3-5-7-17/h3-14,21-22H,1-2H3.
What are the key properties of 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 288.39 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 139604467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).