3-[(3-bromophenyl)methyl]azetidine;hydrochloride

C10H13BrClN — CID 137347061

IUPAC3-[(3-bromophenyl)methyl]azetidine;hydrochloride
SMILESBrc1cccc(CC2CNC2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-10-3-1-2-8(5-10)4-9-6-12-7-9;/h1-3,5,9,12H,4,6-7H2;1H
InChIKeyLCYTXGHIKYBGDU-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.63
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]azetidine;hydrochloride

3-[(3-bromophenyl)methyl]azetidine;hydrochloride (PubChem CID 137347061) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]azetidine;hydrochloride
PubChem CID137347061
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-[(3-bromophenyl)methyl]azetidine;hydrochloride
SMILESBrc1cccc(CC2CNC2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-10-3-1-2-8(5-10)4-9-6-12-7-9;/h1-3,5,9,12H,4,6-7H2;1H
InChIKeyLCYTXGHIKYBGDU-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(3-bromophenyl)methyl]azetidine;hydrochloride 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-benzylazetidine;hydrochloride
CID 54592835
3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine
CID 107391807
(3-bromophenyl)methyl 2-(azetidin-3-yl)acetate
CID 82824071
methyl 4-[(3-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270163
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
3-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 64515099
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-bromophenyl)methyl]cycloheptan-1-one
CID 64503625

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(3-bromophenyl)methyl]azetidine;hydrochloride (CID 137347061) is 3-[(3-bromophenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(3-bromophenyl)methyl]azetidine;hydrochloride is Brc1cccc(CC2CNC2)c1.Cl.
What is the InChIKey of 3-[(3-bromophenyl)methyl]azetidine;hydrochloride?
The InChIKey is LCYTXGHIKYBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-10-3-1-2-8(5-10)4-9-6-12-7-9;/h1-3,5,9,12H,4,6-7H2;1H.
What are the key properties of 3-[(3-bromophenyl)methyl]azetidine;hydrochloride?
3-[(3-bromophenyl)methyl]azetidine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 137347061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).