2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine

C16H23NO2 — CID 116870822

IUPAC2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
SMILESCOc1cc(C)cc(C)c1C1(C2CCCN2)COC1
InChIInChI=1S/C16H23NO2/c1-11-7-12(2)15(13(8-11)18-3)16(9-19-10-16)14-5-4-6-17-14/h7-8,14,17H,4-6,9-10H2,1-3H3
InChIKeyNTGOUHMJSJWULI-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.33
Rot. Bonds3

About 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine

2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine (PubChem CID 116870822) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
PubChem CID116870822
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
SMILESCOc1cc(C)cc(C)c1C1(C2CCCN2)COC1
InChIInChI=1S/C16H23NO2/c1-11-7-12(2)15(13(8-11)18-3)16(9-19-10-16)14-5-4-6-17-14/h7-8,14,17H,4-6,9-10H2,1-3H3
InChIKeyNTGOUHMJSJWULI-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
CID 116872794
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 106681655
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681
2-[1-(2,4-dimethylphenyl)cyclopropyl]pyrrolidine
CID 83909979
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116869938
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 106679636
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
7-methoxy-1,5-dimethyl-2-pyrrolidin-2-ylindole
CID 84631498
1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
CID 106679866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine?
The IUPAC name of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine (CID 116870822) is 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine.
What is the SMILES notation for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine?
The canonical SMILES for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine is COc1cc(C)cc(C)c1C1(C2CCCN2)COC1.
What is the InChIKey of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine?
The InChIKey is NTGOUHMJSJWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-7-12(2)15(13(8-11)18-3)16(9-19-10-16)14-5-4-6-17-14/h7-8,14,17H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine?
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine has a molecular weight of 261.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine is sourced from PubChem (CID 116870822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).