4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline

C24H28N2 — CID 141439790

IUPAC4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
SMILESCC(Cc1ccc(N)cc1)c1ccccc1C(C)Cc1ccc(N)cc1
InChIInChI=1S/C24H28N2/c1-17(15-19-7-11-21(25)12-8-19)23-5-3-4-6-24(23)18(2)16-20-9-13-22(26)14-10-20/h3-14,17-18H,15-16,25-26H2,1-2H3
InChIKeyQLXOFIKDGWXNOS-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.54
Rot. Bonds6

About 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline

4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline (PubChem CID 141439790) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline.

Molecular Properties

Compound Name4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
PubChem CID141439790
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
SMILESCC(Cc1ccc(N)cc1)c1ccccc1C(C)Cc1ccc(N)cc1
InChIInChI=1S/C24H28N2/c1-17(15-19-7-11-21(25)12-8-19)23-5-3-4-6-24(23)18(2)16-20-9-13-22(26)14-10-20/h3-14,17-18H,15-16,25-26H2,1-2H3
InChIKeyQLXOFIKDGWXNOS-UHFFFAOYSA-N
XLogP5.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.54
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-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]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-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
1,4-bis(2-phenylpropyl)benzene
CID 19376086
4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
CID 82477603
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
4-(2,2-dimethoxyethyl)aniline
CID 18173527
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
2-[1-(4-chlorophenyl)propan-2-yl]benzamide
CID 142688432
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
CID 70388801

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline?
The IUPAC name of 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline (CID 141439790) is 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline.
What is the SMILES notation for 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline?
The canonical SMILES for 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline is CC(Cc1ccc(N)cc1)c1ccccc1C(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline?
The InChIKey is QLXOFIKDGWXNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-17(15-19-7-11-21(25)12-8-19)23-5-3-4-6-24(23)18(2)16-20-9-13-22(26)14-10-20/h3-14,17-18H,15-16,25-26H2,1-2H3.
What are the key properties of 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline?
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline has a molecular weight of 344.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline is sourced from PubChem (CID 141439790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).