3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine

C13H19ClN2 — CID 69409123

IUPAC3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
SMILESNCCCN1CC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10,15H2
InChIKeyAKWMZTHDHYASMI-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.16
Rot. Bonds5

About 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine

3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine (PubChem CID 69409123) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
PubChem CID69409123
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
SMILESNCCCN1CC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10,15H2
InChIKeyAKWMZTHDHYASMI-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine 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

3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
CID 121201628
3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
CID 130531127
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
CID 20519775
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668
2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
CID 139908152
4-[[7-(3-aminopropyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]methyl]benzonitrile
CID 68519084
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine?
The IUPAC name of 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine (CID 69409123) is 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine is NCCCN1CC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine?
The InChIKey is AKWMZTHDHYASMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-13-4-2-11(3-5-13)8-12-9-16(10-12)7-1-6-15/h2-5,12H,1,6-10,15H2.
What are the key properties of 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine?
3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine is sourced from PubChem (CID 69409123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).