4-[3-(4-aminophenyl)-2-phenylpropyl]aniline

C21H22N2 — CID 175589044

IUPAC4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
SMILESNc1ccc(CC(Cc2ccc(N)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2/c22-20-10-6-16(7-11-20)14-19(18-4-2-1-3-5-18)15-17-8-12-21(23)13-9-17/h1-13,19H,14-15,22-23H2
InChIKeyPAKVXTLYNDIOSS-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.42
Rot. Bonds5

About 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline

4-[3-(4-aminophenyl)-2-phenylpropyl]aniline (PubChem CID 175589044) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
PubChem CID175589044
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
SMILESNc1ccc(CC(Cc2ccc(N)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2/c22-20-10-6-16(7-11-20)14-19(18-4-2-1-3-5-18)15-17-8-12-21(23)13-9-17/h1-13,19H,14-15,22-23H2
InChIKeyPAKVXTLYNDIOSS-UHFFFAOYSA-N
XLogP4.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.42
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'}

Analyze 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
3,4-diphenylbutanenitrile
CID 57019380
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
CID 18976753
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
CID 123960089
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
4-[1-[4-[2-[4-[1-(4-aminophenyl)decyl]phenyl]nonyl]phenyl]decyl]aniline
CID 22920117
4-[1-[4-[2-[4-[1-(4-aminophenyl)heptyl]phenyl]octyl]phenyl]heptyl]aniline
CID 22919719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline?
The IUPAC name of 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline (CID 175589044) is 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline.
What is the SMILES notation for 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline?
The canonical SMILES for 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline is Nc1ccc(CC(Cc2ccc(N)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline?
The InChIKey is PAKVXTLYNDIOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c22-20-10-6-16(7-11-20)14-19(18-4-2-1-3-5-18)15-17-8-12-21(23)13-9-17/h1-13,19H,14-15,22-23H2.
What are the key properties of 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline?
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline has a molecular weight of 302.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)-2-phenylpropyl]aniline is sourced from PubChem (CID 175589044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).