3-(2-bromophenyl)azetidin-3-amine;hydrochloride

C9H12BrClN2 — CID 166608779

IUPAC3-(2-bromophenyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2Br)CNC1
InChIInChI=1S/C9H11BrN2.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4,12H,5-6,11H2;1H
InChIKeyMZPVAYMEXQIOMO-UHFFFAOYSA-N
MW263.57 g/mol
LogP1.63
Rot. Bonds1

About 3-(2-bromophenyl)azetidin-3-amine;hydrochloride

3-(2-bromophenyl)azetidin-3-amine;hydrochloride (PubChem CID 166608779) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 3-(2-bromophenyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenyl)azetidin-3-amine;hydrochloride
PubChem CID166608779
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name3-(2-bromophenyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2Br)CNC1
InChIInChI=1S/C9H11BrN2.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4,12H,5-6,11H2;1H
InChIKeyMZPVAYMEXQIOMO-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)azetidin-3-amine;hydrochloride 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 3-(2-bromophenyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(2-bromophenyl)azetidin-3-amine;hydrochloride (CID 166608779) is 3-(2-bromophenyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(2-bromophenyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(2-bromophenyl)azetidin-3-amine;hydrochloride is Cl.NC1(c2ccccc2Br)CNC1.
What is the InChIKey of 3-(2-bromophenyl)azetidin-3-amine;hydrochloride?
The InChIKey is MZPVAYMEXQIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4,12H,5-6,11H2;1H.
What are the key properties of 3-(2-bromophenyl)azetidin-3-amine;hydrochloride?
3-(2-bromophenyl)azetidin-3-amine;hydrochloride has a molecular weight of 263.57 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).