4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline

C26H24N2 — CID 22326034

IUPAC4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline
SMILESCc1cccc(-c2c(N)ccc(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C26H24N2/c1-17-5-3-7-20(15-17)25-23(19-9-11-22(27)12-10-19)13-14-24(28)26(25)21-8-4-6-18(2)16-21/h3-16H,27-28H2,1-2H3
InChIKeyGXHFAFFBRFVGLX-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.47
Rot. Bonds3

About 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline

4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline (PubChem CID 22326034) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline
PubChem CID22326034
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline
SMILESCc1cccc(-c2c(N)ccc(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C26H24N2/c1-17-5-3-7-20(15-17)25-23(19-9-11-22(27)12-10-19)13-14-24(28)26(25)21-8-4-6-18(2)16-21/h3-16H,27-28H2,1-2H3
InChIKeyGXHFAFFBRFVGLX-UHFFFAOYSA-N
XLogP6.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.47
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 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline (CID 22326034) is 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline is Cc1cccc(-c2c(N)ccc(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1.
What is the InChIKey of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline?
The InChIKey is GXHFAFFBRFVGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-17-5-3-7-20(15-17)25-23(19-9-11-22(27)12-10-19)13-14-24(28)26(25)21-8-4-6-18(2)16-21/h3-16H,27-28H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline?
4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline has a molecular weight of 364.49 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-bis(3-methylphenyl)aniline is sourced from PubChem (CID 22326034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).