(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride

C12H18ClNO — CID 171196939

IUPAC(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
SMILESCOc1c(C)cc([C@@H]2CCN2)cc1C.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-6-10(11-4-5-13-11)7-9(2)12(8)14-3;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m0./s1
InChIKeyNNIYDWZFXNMSEL-MERQFXBCSA-N
MW227.73 g/mol
LogP2.77
Rot. Bonds2

About (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride

(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride (PubChem CID 171196939) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
PubChem CID171196939
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
SMILESCOc1c(C)cc([C@@H]2CCN2)cc1C.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-6-10(11-4-5-13-11)7-9(2)12(8)14-3;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m0./s1
InChIKeyNNIYDWZFXNMSEL-MERQFXBCSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
4-(4-methoxy-3,5-dimethylphenyl)cyclohexan-1-amine
CID 116962622
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
CID 171197250
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride (CID 171196939) is (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride is COc1c(C)cc([C@@H]2CCN2)cc1C.Cl.
What is the InChIKey of (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride?
The InChIKey is NNIYDWZFXNMSEL-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-8-6-10(11-4-5-13-11)7-9(2)12(8)14-3;/h6-7,11,13H,4-5H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride?
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171196939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).