4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline

C21H22N2 — CID 59136544

IUPAC4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
SMILESCC(Cc1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C21H22N2/c1-21(15-16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,15,22-23H2,1H3
InChIKeyXAQNIOKJLXBIOI-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.40
Rot. Bonds4

About 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline

4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline (PubChem CID 59136544) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
PubChem CID59136544
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
SMILESCC(Cc1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C21H22N2/c1-21(15-16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,15,22-23H2,1H3
InChIKeyXAQNIOKJLXBIOI-UHFFFAOYSA-N
XLogP4.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.40
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'}

Analyze 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]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-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
benzene;4-tert-butylaniline
CID 175140068
4-(2-phenylmethoxypropan-2-yl)aniline
CID 122627268
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 122622472
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
CID 173399358
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline (CID 59136544) is 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline is CC(Cc1ccccc1)(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline?
The InChIKey is XAQNIOKJLXBIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-21(15-16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,15,22-23H2,1H3.
What are the key properties of 4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline?
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline has a molecular weight of 302.42 g/mol, XLogP of 4.40, 4 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-phenylpropan-2-yl]aniline is sourced from PubChem (CID 59136544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).