(2S)-2-(4-methoxyphenyl)azetidine

C10H13NO — CID 55278634

IUPAC(2S)-2-(4-methoxyphenyl)azetidine
SMILESCOc1ccc([C@@H]2CCN2)cc1
InChIInChI=1S/C10H13NO/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyJGRQFXJWMOUDTP-JTQLQIEISA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)azetidine

(2S)-2-(4-methoxyphenyl)azetidine (PubChem CID 55278634) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)azetidine
PubChem CID55278634
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-(4-methoxyphenyl)azetidine
SMILESCOc1ccc([C@@H]2CCN2)cc1
InChIInChI=1S/C10H13NO/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyJGRQFXJWMOUDTP-JTQLQIEISA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
CID 115038605
2-(4-methoxyphenyl)-1,4-diazocane
CID 2771778
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
(2S,4aS,8aS)-2-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 51654739
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)azetidine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)azetidine (CID 55278634) is (2S)-2-(4-methoxyphenyl)azetidine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)azetidine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)azetidine is COc1ccc([C@@H]2CCN2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)azetidine?
The InChIKey is JGRQFXJWMOUDTP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c1-12-9-4-2-8(3-5-9)10-6-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)azetidine?
(2S)-2-(4-methoxyphenyl)azetidine has a molecular weight of 163.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)azetidine is sourced from PubChem (CID 55278634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).