3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine

C16H23NO2 — CID 116871327

IUPAC3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCOc1c(C)cc(C)cc1C1(C2CC(N)C2)COC1
InChIInChI=1S/C16H23NO2/c1-10-4-11(2)15(18-3)14(5-10)16(8-19-9-16)12-6-13(17)7-12/h4-5,12-13H,6-9,17H2,1-3H3
InChIKeyKUKIOPJKJSFKSC-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.32
Rot. Bonds3

About 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine

3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine (PubChem CID 116871327) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
PubChem CID116871327
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
SMILESCOc1c(C)cc(C)cc1C1(C2CC(N)C2)COC1
InChIInChI=1S/C16H23NO2/c1-10-4-11(2)15(18-3)14(5-10)16(8-19-9-16)12-6-13(17)7-12/h4-5,12-13H,6-9,17H2,1-3H3
InChIKeyKUKIOPJKJSFKSC-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
N-[[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870590
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
3-amino-N-(2-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161425
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
3-(4-methoxy-2,3,5-trimethylphenyl)cyclobutan-1-amine
CID 116962770
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
CID 116870822
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
1-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]adamantane
CID 168737597

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine (CID 116871327) is 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine is COc1c(C)cc(C)cc1C1(C2CC(N)C2)COC1.
What is the InChIKey of 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
The InChIKey is KUKIOPJKJSFKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-4-11(2)15(18-3)14(5-10)16(8-19-9-16)12-6-13(17)7-12/h4-5,12-13H,6-9,17H2,1-3H3.
What are the key properties of 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine?
3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 116871327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).