4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline

C26H24N2 — CID 69123839

IUPAC4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline
SMILESCc1cc(Nc2ccccc2)ccc1-c1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C26H24N2/c1-19-17-23(27-21-9-5-3-6-10-21)13-15-25(19)26-16-14-24(18-20(26)2)28-22-11-7-4-8-12-22/h3-18,27-28H,1-2H3
InChIKeyVNUAHXKWIUZOQI-UHFFFAOYSA-N
MW364.49 g/mol
LogP7.46
Rot. Bonds5

About 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline

4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline (PubChem CID 69123839) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline
PubChem CID69123839
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline
SMILESCc1cc(Nc2ccccc2)ccc1-c1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C26H24N2/c1-19-17-23(27-21-9-5-3-6-10-21)13-15-25(19)26-16-14-24(18-20(26)2)28-22-11-7-4-8-12-22/h3-18,27-28H,1-2H3
InChIKeyVNUAHXKWIUZOQI-UHFFFAOYSA-N
XLogP7.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline?
The IUPAC name of 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline (CID 69123839) is 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline.
What is the SMILES notation for 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline?
The canonical SMILES for 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline is Cc1cc(Nc2ccccc2)ccc1-c1ccc(Nc2ccccc2)cc1C.
What is the InChIKey of 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline?
The InChIKey is VNUAHXKWIUZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-19-17-23(27-21-9-5-3-6-10-21)13-15-25(19)26-16-14-24(18-20(26)2)28-22-11-7-4-8-12-22/h3-18,27-28H,1-2H3.
What are the key properties of 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline?
4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline has a molecular weight of 364.49 g/mol, XLogP of 7.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilino-2-methylphenyl)-3-methyl-N-phenylaniline is sourced from PubChem (CID 69123839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).