(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride

C10H13Cl2N — CID 171197250

IUPAC(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
SMILESCc1ccc([C@H]2CCN2)cc1Cl.Cl
InChIInChI=1S/C10H12ClN.ClH/c1-7-2-3-8(6-9(7)11)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyUWYFZLBDIYJONG-HNCPQSOCSA-N
MW218.13 g/mol
LogP3.10
Rot. Bonds1

About (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride

(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride (PubChem CID 171197250) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
PubChem CID171197250
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
SMILESCc1ccc([C@H]2CCN2)cc1Cl.Cl
InChIInChI=1S/C10H12ClN.ClH/c1-7-2-3-8(6-9(7)11)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1
InChIKeyUWYFZLBDIYJONG-HNCPQSOCSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818311
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
5-[(2S)-azetidin-2-yl]-2-methylbenzoic acid
CID 131057016
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
CID 171197328
4-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 106818817
4-(azetidin-2-yl)-2-methylbenzonitrile
CID 55282910
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride (CID 171197250) is (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride is Cc1ccc([C@H]2CCN2)cc1Cl.Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride?
The InChIKey is UWYFZLBDIYJONG-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c1-7-2-3-8(6-9(7)11)10-4-5-12-10;/h2-3,6,10,12H,4-5H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride?
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).