(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride

C12H18ClN — CID 171197280

IUPAC(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
SMILESCc1cc(C)c([C@H]2CCN2)c(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-6-9(2)12(10(3)7-8)11-4-5-13-11;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m1./s1
InChIKeyLHGSOEDATGWPHR-RFVHGSKJSA-N
MW211.74 g/mol
LogP3.07
Rot. Bonds1

About (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride

(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride (PubChem CID 171197280) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
PubChem CID171197280
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
SMILESCc1cc(C)c([C@H]2CCN2)c(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-6-9(2)12(10(3)7-8)11-4-5-13-11;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m1./s1
InChIKeyLHGSOEDATGWPHR-RFVHGSKJSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
3-methyl-5-(2,4,6-trimethylphenyl)pyrazolidine
CID 78292069
2-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 116829218
2-phenyl-3-(2,4,6-trimethylphenyl)pyrrolidine
CID 62718277
2-methyl-5-(2,4,6-trimethylphenyl)morpholine
CID 82286014
1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 62373264
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride (CID 171197280) is (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride is Cc1cc(C)c([C@H]2CCN2)c(C)c1.Cl.
What is the InChIKey of (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride?
The InChIKey is LHGSOEDATGWPHR-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-8-6-9(2)12(10(3)7-8)11-4-5-13-11;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride?
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).