2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine

C13H21ClN2 — CID 83924194

IUPAC2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-2-11(7-10(8-15)9-16)12-5-3-4-6-13(12)14/h3-6,10-11H,2,7-9,15-16H2,1H3
InChIKeyWWTURTIVLVUXRZ-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine

2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine (PubChem CID 83924194) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
PubChem CID83924194
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-2-11(7-10(8-15)9-16)12-5-3-4-6-13(12)14/h3-6,10-11H,2,7-9,15-16H2,1H3
InChIKeyWWTURTIVLVUXRZ-UHFFFAOYSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine 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

2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
2-[2-(4-chloro-3-methylphenyl)butyl]propane-1,3-diamine
CID 83937341
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
3-(2-chlorophenyl)pentanediamide
CID 13034531
3-(2-chlorophenyl)-4-fluorobutan-1-amine
CID 115022437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine (CID 83924194) is 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine is CCC(CC(CN)CN)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine?
The InChIKey is WWTURTIVLVUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-2-11(7-10(8-15)9-16)12-5-3-4-6-13(12)14/h3-6,10-11H,2,7-9,15-16H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine?
2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine is sourced from PubChem (CID 83924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).