N-[2-(4-chlorophenyl)propyl]aniline

C15H16ClN — CID 11536084

IUPACN-[2-(4-chlorophenyl)propyl]aniline
SMILESCC(CNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-9-14(16)10-8-13)11-17-15-5-3-2-4-6-15/h2-10,12,17H,11H2,1H3
InChIKeyGSNKVGZVDPFBCB-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(4-chlorophenyl)propyl]aniline

N-[2-(4-chlorophenyl)propyl]aniline (PubChem CID 11536084) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propyl]aniline
PubChem CID11536084
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[2-(4-chlorophenyl)propyl]aniline
SMILESCC(CNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-9-14(16)10-8-13)11-17-15-5-3-2-4-6-15/h2-10,12,17H,11H2,1H3
InChIKeyGSNKVGZVDPFBCB-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propyl]aniline?
The IUPAC name of N-[2-(4-chlorophenyl)propyl]aniline (CID 11536084) is N-[2-(4-chlorophenyl)propyl]aniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)propyl]aniline?
The canonical SMILES for N-[2-(4-chlorophenyl)propyl]aniline is CC(CNc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propyl]aniline?
The InChIKey is GSNKVGZVDPFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12(13-7-9-14(16)10-8-13)11-17-15-5-3-2-4-6-15/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)propyl]aniline?
N-[2-(4-chlorophenyl)propyl]aniline has a molecular weight of 245.75 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propyl]aniline is sourced from PubChem (CID 11536084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).