(2R)-2-(2,4,6-trimethoxyphenyl)azetidine

C12H17NO3 — CID 171197166

IUPAC(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
SMILESCOc1cc(OC)c([C@H]2CCN2)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-14-8-6-10(15-2)12(9-4-5-13-9)11(7-8)16-3/h6-7,9,13H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyFUVDFRPFZUDSPT-SECBINFHSA-N
MW223.27 g/mol
LogP1.75
Rot. Bonds4

About (2R)-2-(2,4,6-trimethoxyphenyl)azetidine

(2R)-2-(2,4,6-trimethoxyphenyl)azetidine (PubChem CID 171197166) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2R)-2-(2,4,6-trimethoxyphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
PubChem CID171197166
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
SMILESCOc1cc(OC)c([C@H]2CCN2)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-14-8-6-10(15-2)12(9-4-5-13-9)11(7-8)16-3/h6-7,9,13H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyFUVDFRPFZUDSPT-SECBINFHSA-N
XLogP1.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
CID 84800886
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,6-trimethoxyphenyl)azetidine?
The IUPAC name of (2R)-2-(2,4,6-trimethoxyphenyl)azetidine (CID 171197166) is (2R)-2-(2,4,6-trimethoxyphenyl)azetidine.
What is the SMILES notation for (2R)-2-(2,4,6-trimethoxyphenyl)azetidine?
The canonical SMILES for (2R)-2-(2,4,6-trimethoxyphenyl)azetidine is COc1cc(OC)c([C@H]2CCN2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4,6-trimethoxyphenyl)azetidine?
The InChIKey is FUVDFRPFZUDSPT-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-8-6-10(15-2)12(9-4-5-13-9)11(7-8)16-3/h6-7,9,13H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2,4,6-trimethoxyphenyl)azetidine?
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine has a molecular weight of 223.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,6-trimethoxyphenyl)azetidine is sourced from PubChem (CID 171197166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).