1-[(5-bromo-2-chlorophenyl)methyl]azetidine

C10H11BrClN — CID 126992141

IUPAC1-[(5-bromo-2-chlorophenyl)methyl]azetidine
SMILESClc1ccc(Br)cc1CN1CCC1
InChIInChI=1S/C10H11BrClN/c11-9-2-3-10(12)8(6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyAYZWFBMMHNNXBS-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.31
Rot. Bonds2

About 1-[(5-bromo-2-chlorophenyl)methyl]azetidine

1-[(5-bromo-2-chlorophenyl)methyl]azetidine (PubChem CID 126992141) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 1-[(5-bromo-2-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(5-bromo-2-chlorophenyl)methyl]azetidine
PubChem CID126992141
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name1-[(5-bromo-2-chlorophenyl)methyl]azetidine
SMILESClc1ccc(Br)cc1CN1CCC1
InChIInChI=1S/C10H11BrClN/c11-9-2-3-10(12)8(6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyAYZWFBMMHNNXBS-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(5-bromo-2-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56789122
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
1-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71844482
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
CID 70566541
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 103815402

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-chlorophenyl)methyl]azetidine?
The IUPAC name of 1-[(5-bromo-2-chlorophenyl)methyl]azetidine (CID 126992141) is 1-[(5-bromo-2-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(5-bromo-2-chlorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(5-bromo-2-chlorophenyl)methyl]azetidine is Clc1ccc(Br)cc1CN1CCC1.
What is the InChIKey of 1-[(5-bromo-2-chlorophenyl)methyl]azetidine?
The InChIKey is AYZWFBMMHNNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-9-2-3-10(12)8(6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-[(5-bromo-2-chlorophenyl)methyl]azetidine?
1-[(5-bromo-2-chlorophenyl)methyl]azetidine has a molecular weight of 260.56 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 126992141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).