2-[(2-chlorophenyl)methyl]azetidine

C10H12ClN — CID 84658268

IUPAC2-[(2-chlorophenyl)methyl]azetidine
SMILESClc1ccccc1CC1CCN1
InChIInChI=1S/C10H12ClN/c11-10-4-2-1-3-8(10)7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyKCTUONDJLFIMEP-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.24
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]azetidine

2-[(2-chlorophenyl)methyl]azetidine (PubChem CID 84658268) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]azetidine
PubChem CID84658268
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-[(2-chlorophenyl)methyl]azetidine
SMILESClc1ccccc1CC1CCN1
InChIInChI=1S/C10H12ClN/c11-10-4-2-1-3-8(10)7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyKCTUONDJLFIMEP-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 115071274
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
5-[(2-chlorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024925
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2-[(2-chlorophenyl)sulfanylmethyl]azetidine
CID 115070920
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]azetidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]azetidine (CID 84658268) is 2-[(2-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]azetidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]azetidine is Clc1ccccc1CC1CCN1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]azetidine?
The InChIKey is KCTUONDJLFIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-10-4-2-1-3-8(10)7-9-5-6-12-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]azetidine?
2-[(2-chlorophenyl)methyl]azetidine has a molecular weight of 181.67 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 84658268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).