4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline

C25H22N2 — CID 146637396

IUPAC4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
SMILESNc1ccc(Cc2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C25H22N2/c26-24-13-11-18(16-22(24)20-7-3-1-4-8-20)15-19-12-14-25(27)23(17-19)21-9-5-2-6-10-21/h1-14,16-17H,15,26-27H2
InChIKeyYNBMFKIEAGRADQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.78
Rot. Bonds4

About 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline

4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline (PubChem CID 146637396) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline.

Molecular Properties

Compound Name4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
PubChem CID146637396
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
SMILESNc1ccc(Cc2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C25H22N2/c26-24-13-11-18(16-22(24)20-7-3-1-4-8-20)15-19-12-14-25(27)23(17-19)21-9-5-2-6-10-21/h1-14,16-17H,15,26-27H2
InChIKeyYNBMFKIEAGRADQ-UHFFFAOYSA-N
XLogP5.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
4-benzyl-2-(3-chloro-4-fluorophenyl)aniline
CID 19381138
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312
4-benzyl-2-phenylbenzenethiol
CID 139607533
4-(4-amino-3-phenylphenoxy)-2-phenylaniline
CID 69279475
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline
CID 10052449
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
(3,4-diphenylphenyl)methanamine
CID 174401792
5-(chloromethyl)-2-phenylaniline
CID 89208885

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline?
The IUPAC name of 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline (CID 146637396) is 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline.
What is the SMILES notation for 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline?
The canonical SMILES for 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline is Nc1ccc(Cc2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline?
The InChIKey is YNBMFKIEAGRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c26-24-13-11-18(16-22(24)20-7-3-1-4-8-20)15-19-12-14-25(27)23(17-19)21-9-5-2-6-10-21/h1-14,16-17H,15,26-27H2.
What are the key properties of 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline?
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline has a molecular weight of 350.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline is sourced from PubChem (CID 146637396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).