[1-(4-chlorophenyl)azetidin-2-yl]methanamine

C10H13ClN2 — CID 115020899

IUPAC[1-(4-chlorophenyl)azetidin-2-yl]methanamine
SMILESNCC1CCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c11-8-1-3-9(4-2-8)13-6-5-10(13)7-12/h1-4,10H,5-7,12H2
InChIKeyPKEVCIMFARHODB-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.88
Rot. Bonds2

About [1-(4-chlorophenyl)azetidin-2-yl]methanamine

[1-(4-chlorophenyl)azetidin-2-yl]methanamine (PubChem CID 115020899) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is [1-(4-chlorophenyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)azetidin-2-yl]methanamine
PubChem CID115020899
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name[1-(4-chlorophenyl)azetidin-2-yl]methanamine
SMILESNCC1CCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c11-8-1-3-9(4-2-8)13-6-5-10(13)7-12/h1-4,10H,5-7,12H2
InChIKeyPKEVCIMFARHODB-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)azetidin-2-yl]methanamine 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 [1-(4-chlorophenyl)azetidin-2-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)azetidin-2-yl]methanamine (CID 115020899) is [1-(4-chlorophenyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)azetidin-2-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)azetidin-2-yl]methanamine is NCC1CCN1c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)azetidin-2-yl]methanamine?
The InChIKey is PKEVCIMFARHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-8-1-3-9(4-2-8)13-6-5-10(13)7-12/h1-4,10H,5-7,12H2.
What are the key properties of [1-(4-chlorophenyl)azetidin-2-yl]methanamine?
[1-(4-chlorophenyl)azetidin-2-yl]methanamine has a molecular weight of 196.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 115020899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).