(2R)-2-(5-chloro-2-methoxyphenyl)azetidine

C10H12ClNO — CID 130700995

IUPAC(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
SMILESCOc1ccc(Cl)cc1[C@H]1CCN1
InChIInChI=1S/C10H12ClNO/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m1/s1
InChIKeyXOIFOMSEOSZMGT-SECBINFHSA-N
MW197.66 g/mol
LogP2.38
Rot. Bonds2

About (2R)-2-(5-chloro-2-methoxyphenyl)azetidine

(2R)-2-(5-chloro-2-methoxyphenyl)azetidine (PubChem CID 130700995) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methoxyphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
PubChem CID130700995
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
SMILESCOc1ccc(Cl)cc1[C@H]1CCN1
InChIInChI=1S/C10H12ClNO/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m1/s1
InChIKeyXOIFOMSEOSZMGT-SECBINFHSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
4-(5-chloro-2-methoxyphenyl)-1,3-oxazolidine
CID 175424496
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141
3-benzyl-2-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 5012112
7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methoxyphenyl)azetidine?
The IUPAC name of (2R)-2-(5-chloro-2-methoxyphenyl)azetidine (CID 130700995) is (2R)-2-(5-chloro-2-methoxyphenyl)azetidine.
What is the SMILES notation for (2R)-2-(5-chloro-2-methoxyphenyl)azetidine?
The canonical SMILES for (2R)-2-(5-chloro-2-methoxyphenyl)azetidine is COc1ccc(Cl)cc1[C@H]1CCN1.
What is the InChIKey of (2R)-2-(5-chloro-2-methoxyphenyl)azetidine?
The InChIKey is XOIFOMSEOSZMGT-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9/h2-3,6,9,12H,4-5H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methoxyphenyl)azetidine?
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine has a molecular weight of 197.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methoxyphenyl)azetidine is sourced from PubChem (CID 130700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).