1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine

C15H23NO3 — CID 116869883

IUPAC1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
SMILESCOc1cc(C)c(C2(CC(C)N)COC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-5-12(17-3)6-13(18-4)14(10)15(7-11(2)16)8-19-9-15/h5-6,11H,7-9,16H2,1-4H3
InChIKeyJKIYSTDFQQFGMX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.02
Rot. Bonds5

About 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine

1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine (PubChem CID 116869883) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
PubChem CID116869883
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
SMILESCOc1cc(C)c(C2(CC(C)N)COC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-5-12(17-3)6-13(18-4)14(10)15(7-11(2)16)8-19-9-15/h5-6,11H,7-9,16H2,1-4H3
InChIKeyJKIYSTDFQQFGMX-UHFFFAOYSA-N
XLogP2.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519518
3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869892
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870298
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine (CID 116869883) is 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine is COc1cc(C)c(C2(CC(C)N)COC2)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine?
The InChIKey is JKIYSTDFQQFGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-5-12(17-3)6-13(18-4)14(10)15(7-11(2)16)8-19-9-15/h5-6,11H,7-9,16H2,1-4H3.
What are the key properties of 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine?
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).