4-(2-aminopropyl)aniline

C9H14N2 — CID 3049430

IUPAC4-(2-aminopropyl)aniline
SMILESCC(N)Cc1ccc(N)cc1
InChIInChI=1S/C9H14N2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6,10-11H2,1H3
InChIKeyUXAZIFYAGDKABZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.16
Rot. Bonds2

About 4-(2-aminopropyl)aniline

4-(2-aminopropyl)aniline (PubChem CID 3049430) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-(2-aminopropyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)aniline
PubChem CID3049430
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-(2-aminopropyl)aniline
SMILESCC(N)Cc1ccc(N)cc1
InChIInChI=1S/C9H14N2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6,10-11H2,1H3
InChIKeyUXAZIFYAGDKABZ-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.16
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-aminopropyl)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

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
2,4-Diaminotoluene
CID 7261
p-Toluidine
CID 7813
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
3,4-Diaminotoluene
CID 10332
2,4-Dimethylaniline
CID 7250
3,4-Dimethylaniline
CID 7248
m-Toluidine
CID 7934
1-Phenethylamine
CID 7408
2-Toluidine hydrochloride
CID 12484

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)aniline?
The IUPAC name of 4-(2-aminopropyl)aniline (CID 3049430) is 4-(2-aminopropyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)aniline is CC(N)Cc1ccc(N)cc1.
What is the InChIKey of 4-(2-aminopropyl)aniline?
The InChIKey is UXAZIFYAGDKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6,10-11H2,1H3.
What are the key properties of 4-(2-aminopropyl)aniline?
4-(2-aminopropyl)aniline has a molecular weight of 150.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)aniline is sourced from PubChem (CID 3049430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).