(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride

C11H16ClNO2 — CID 171197120

IUPAC(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
SMILESCOc1cccc([C@H]2CCN2)c1OC.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-13-10-5-3-4-8(11(10)14-2)9-6-7-12-9;/h3-5,9,12H,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyPTBMIDQNIGTADV-SBSPUUFOSA-N
MW229.71 g/mol
LogP2.16
Rot. Bonds3

About (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride

(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride (PubChem CID 171197120) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
PubChem CID171197120
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
SMILESCOc1cccc([C@H]2CCN2)c1OC.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-13-10-5-3-4-8(11(10)14-2)9-6-7-12-9;/h3-5,9,12H,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyPTBMIDQNIGTADV-SBSPUUFOSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
(2R)-2-(3-bromo-2-methoxyphenyl)azetidine
CID 126961267
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
CID 117443056
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride (CID 171197120) is (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride is COc1cccc([C@H]2CCN2)c1OC.Cl.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride?
The InChIKey is PTBMIDQNIGTADV-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-13-10-5-3-4-8(11(10)14-2)9-6-7-12-9;/h3-5,9,12H,6-7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride?
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171197120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).