(2R)-2-(2-chloro-4-methylphenyl)azetidine

C10H12ClN — CID 130738844

IUPAC(2R)-2-(2-chloro-4-methylphenyl)azetidine
SMILESCc1ccc([C@H]2CCN2)c(Cl)c1
InChIInChI=1S/C10H12ClN/c1-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyVNPRLOJATDHVMF-SNVBAGLBSA-N
MW181.67 g/mol
LogP2.68
Rot. Bonds1

About (2R)-2-(2-chloro-4-methylphenyl)azetidine

(2R)-2-(2-chloro-4-methylphenyl)azetidine (PubChem CID 130738844) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-methylphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-methylphenyl)azetidine
PubChem CID130738844
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(2R)-2-(2-chloro-4-methylphenyl)azetidine
SMILESCc1ccc([C@H]2CCN2)c(Cl)c1
InChIInChI=1S/C10H12ClN/c1-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyVNPRLOJATDHVMF-SNVBAGLBSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171197440
2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
CID 55265546
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
6-[(2S)-azetidin-2-yl]-3-chloro-2-methylphenol
CID 131008087
(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
CID 130647391
(1R,5S)-3-(2-chloro-4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 124522659
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-methylphenyl)azetidine?
The IUPAC name of (2R)-2-(2-chloro-4-methylphenyl)azetidine (CID 130738844) is (2R)-2-(2-chloro-4-methylphenyl)azetidine.
What is the SMILES notation for (2R)-2-(2-chloro-4-methylphenyl)azetidine?
The canonical SMILES for (2R)-2-(2-chloro-4-methylphenyl)azetidine is Cc1ccc([C@H]2CCN2)c(Cl)c1.
What is the InChIKey of (2R)-2-(2-chloro-4-methylphenyl)azetidine?
The InChIKey is VNPRLOJATDHVMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-methylphenyl)azetidine?
(2R)-2-(2-chloro-4-methylphenyl)azetidine has a molecular weight of 181.67 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-methylphenyl)azetidine is sourced from PubChem (CID 130738844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).