4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline

C26H24N2 — CID 123960089

IUPAC4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
SMILESNc1ccc(C(c2ccccc2)C(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H24N2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H,27-28H2
InChIKeyXJIQXUINFSAQCI-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.82
Rot. Bonds5

About 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline

4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline (PubChem CID 123960089) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
PubChem CID123960089
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
SMILESNc1ccc(C(c2ccccc2)C(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H24N2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H,27-28H2
InChIKeyXJIQXUINFSAQCI-UHFFFAOYSA-N
XLogP5.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-aminophenyl)-1,2-diphenylethyl]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

4-[(1R)-1-phenylpropyl]aniline
CID 164669947
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
aniline;mercury
CID 54604260
(4-aminophenyl)-[4-(1-phenylethyl)phenyl]methanone
CID 19939681
carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)
CID 157319795
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
CID 67775594
4-(1-phenoxyethyl)aniline
CID 61262602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline (CID 123960089) is 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline is Nc1ccc(C(c2ccccc2)C(c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline?
The InChIKey is XJIQXUINFSAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,25-26H,27-28H2.
What are the key properties of 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline?
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline has a molecular weight of 364.49 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline is sourced from PubChem (CID 123960089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).