(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine

C11H13Cl2N — CID 130647391

IUPAC(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
SMILESCCc1c([C@H]2CCN2)ccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-2-7-8(10-5-6-14-10)3-4-9(12)11(7)13/h3-4,10,14H,2,5-6H2,1H3/t10-/m1/s1
InChIKeyIZHKSGONQFOPKN-SNVBAGLBSA-N
MW230.14 g/mol
LogP3.59
Rot. Bonds2

About (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine

(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine (PubChem CID 130647391) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
PubChem CID130647391
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine
SMILESCCc1c([C@H]2CCN2)ccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-2-7-8(10-5-6-14-10)3-4-9(12)11(7)13/h3-4,10,14H,2,5-6H2,1H3/t10-/m1/s1
InChIKeyIZHKSGONQFOPKN-SNVBAGLBSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
6-[(2S)-azetidin-2-yl]-3-chloro-2-methylphenol
CID 131008087
(2R)-2-(2-chloro-4-methylphenyl)azetidine
CID 130738844
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012
(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
4-[(2R)-azetidin-2-yl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171197440
(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
2-[(2S)-azetidin-2-yl]-6-chloro-4-methylphenol
CID 55265546
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine?
The IUPAC name of (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine (CID 130647391) is (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine.
What is the SMILES notation for (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine?
The canonical SMILES for (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine is CCc1c([C@H]2CCN2)ccc(Cl)c1Cl.
What is the InChIKey of (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine?
The InChIKey is IZHKSGONQFOPKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-2-7-8(10-5-6-14-10)3-4-9(12)11(7)13/h3-4,10,14H,2,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine?
(2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine has a molecular weight of 230.14 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichloro-2-ethylphenyl)azetidine is sourced from PubChem (CID 130647391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).