4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline

C25H22N2 — CID 89211789

IUPAC4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccccc2-c2ccccc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C25H22N2/c26-21-13-9-18(10-14-21)17-20-5-1-2-7-24(20)25-8-4-3-6-23(25)19-11-15-22(27)16-12-19/h1-16H,17,26-27H2
InChIKeyVDDNHWYRTGQTRZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.78
Rot. Bonds4

About 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline

4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline (PubChem CID 89211789) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline
PubChem CID89211789
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccccc2-c2ccccc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C25H22N2/c26-21-13-9-18(10-14-21)17-20-5-1-2-7-24(20)25-8-4-3-6-23(25)19-11-15-22(27)16-12-19/h1-16H,17,26-27H2
InChIKeyVDDNHWYRTGQTRZ-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_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
CID 70388801
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
2-[4-[2-(2-aminoethyl)phenyl]phenyl]ethanamine
CID 122383957
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline (CID 89211789) is 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline is Nc1ccc(Cc2ccccc2-c2ccccc2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline?
The InChIKey is VDDNHWYRTGQTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c26-21-13-9-18(10-14-21)17-20-5-1-2-7-24(20)25-8-4-3-6-23(25)19-11-15-22(27)16-12-19/h1-16H,17,26-27H2.
What are the key properties of 4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline?
4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline 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-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline is sourced from PubChem (CID 89211789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).