3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine

C13H19NO2 — CID 116872712

IUPAC3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
SMILESCOc1c(C)c(C)cc(C)c1C1(N)COC1
InChIInChI=1S/C13H19NO2/c1-8-5-9(2)11(12(15-4)10(8)3)13(14)6-16-7-13/h5H,6-7,14H2,1-4H3
InChIKeyLSHPZUJDKVMAEH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds2

About 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine

3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine (PubChem CID 116872712) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
PubChem CID116872712
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine
SMILESCOc1c(C)c(C)cc(C)c1C1(N)COC1
InChIInChI=1S/C13H19NO2/c1-8-5-9(2)11(12(15-4)10(8)3)13(14)6-16-7-13/h5H,6-7,14H2,1-4H3
InChIKeyLSHPZUJDKVMAEH-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methyloxirane
CID 116864143
1-[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873879
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine
CID 116856365
3-(4-methoxy-2,3,6-trimethylphenyl)oxetane-3-carboxamide
CID 116876229
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine?
The IUPAC name of 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine (CID 116872712) is 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine.
What is the SMILES notation for 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine?
The canonical SMILES for 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine is COc1c(C)c(C)cc(C)c1C1(N)COC1.
What is the InChIKey of 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine?
The InChIKey is LSHPZUJDKVMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-9(2)11(12(15-4)10(8)3)13(14)6-16-7-13/h5H,6-7,14H2,1-4H3.
What are the key properties of 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine?
3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-amine is sourced from PubChem (CID 116872712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).