3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine

C15H23NO2 — CID 116870043

IUPAC3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1cc(C)c(C)cc1C1(CCCN)COC1
InChIInChI=1S/C15H23NO2/c1-11-7-13(14(17-3)8-12(11)2)15(5-4-6-16)9-18-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyJMGAPIBQKOEMIX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.32
Rot. Bonds5

About 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine

3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine (PubChem CID 116870043) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
PubChem CID116870043
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1cc(C)c(C)cc1C1(CCCN)COC1
InChIInChI=1S/C15H23NO2/c1-11-7-13(14(17-3)8-12(11)2)15(5-4-6-16)9-18-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyJMGAPIBQKOEMIX-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870103
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873637
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine (CID 116870043) is 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine is COc1cc(C)c(C)cc1C1(CCCN)COC1.
What is the InChIKey of 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The InChIKey is JMGAPIBQKOEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-7-13(14(17-3)8-12(11)2)15(5-4-6-16)9-18-10-15/h7-8H,4-6,9-10,16H2,1-3H3.
What are the key properties of 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).