3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine

C13H19NO2 — CID 116872794

IUPAC3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
SMILESCNC1(c2c(C)cc(C)cc2OC)COC1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)12(11(6-9)15-4)13(14-3)7-16-8-13/h5-6,14H,7-8H2,1-4H3
InChIKeyAIMUMKJSHZFLJJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds3

About 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine

3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine (PubChem CID 116872794) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
PubChem CID116872794
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
SMILESCNC1(c2c(C)cc(C)cc2OC)COC1
InChIInChI=1S/C13H19NO2/c1-9-5-10(2)12(11(6-9)15-4)13(14-3)7-16-8-13/h5-6,14H,7-8H2,1-4H3
InChIKeyAIMUMKJSHZFLJJ-UHFFFAOYSA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
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
2-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]pyrrolidine
CID 116870822
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964011
[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]hydrazine
CID 116876261
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
N-methyl-1-(2,4,6-trimethylphenyl)cyclohexan-1-amine
CID 82289384
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine
CID 116872827
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine (CID 116872794) is 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine is CNC1(c2c(C)cc(C)cc2OC)COC1.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine?
The InChIKey is AIMUMKJSHZFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-10(2)12(11(6-9)15-4)13(14-3)7-16-8-13/h5-6,14H,7-8H2,1-4H3.
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine?
3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine is sourced from PubChem (CID 116872794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).