(2S)-2-(5-chloro-2-ethylphenyl)azetidine

C11H14ClN — CID 55269141

IUPAC(2S)-2-(5-chloro-2-ethylphenyl)azetidine
SMILESCCc1ccc(Cl)cc1[C@@H]1CCN1
InChIInChI=1S/C11H14ClN/c1-2-8-3-4-9(12)7-10(8)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m0/s1
InChIKeyAZUYJWVHEPLRHN-NSHDSACASA-N
MW195.69 g/mol
LogP2.94
Rot. Bonds2

About (2S)-2-(5-chloro-2-ethylphenyl)azetidine

(2S)-2-(5-chloro-2-ethylphenyl)azetidine (PubChem CID 55269141) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-ethylphenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-ethylphenyl)azetidine
PubChem CID55269141
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2S)-2-(5-chloro-2-ethylphenyl)azetidine
SMILESCCc1ccc(Cl)cc1[C@@H]1CCN1
InChIInChI=1S/C11H14ClN/c1-2-8-3-4-9(12)7-10(8)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m0/s1
InChIKeyAZUYJWVHEPLRHN-NSHDSACASA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
[2-[(2R)-azetidin-2-yl]-4-chlorophenyl]methanol
CID 130665382
(2R)-2-(2-ethyl-5-fluorophenyl)azetidine
CID 55294534
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
CID 130647391
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
2-[(2S)-azetidin-2-yl]-4-chloro-6-(hydroxymethyl)phenol
CID 130657242
(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine
CID 130618151
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
ethyl 3-[(4-chloro-2-piperidin-2-ylphenyl)methylamino]-1H-pyrrole-2-carboxylate
CID 176898752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-ethylphenyl)azetidine?
The IUPAC name of (2S)-2-(5-chloro-2-ethylphenyl)azetidine (CID 55269141) is (2S)-2-(5-chloro-2-ethylphenyl)azetidine.
What is the SMILES notation for (2S)-2-(5-chloro-2-ethylphenyl)azetidine?
The canonical SMILES for (2S)-2-(5-chloro-2-ethylphenyl)azetidine is CCc1ccc(Cl)cc1[C@@H]1CCN1.
What is the InChIKey of (2S)-2-(5-chloro-2-ethylphenyl)azetidine?
The InChIKey is AZUYJWVHEPLRHN-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-8-3-4-9(12)7-10(8)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-ethylphenyl)azetidine?
(2S)-2-(5-chloro-2-ethylphenyl)azetidine has a molecular weight of 195.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-ethylphenyl)azetidine is sourced from PubChem (CID 55269141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).