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

C15H23NO2 — CID 116870103

IUPAC3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1c(C)cc(C2(CCCN)COC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-7-13(8-12(2)14(11)17-3)15(5-4-6-16)9-18-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyGCIAODMVZFSTKH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.32
Rot. Bonds5

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

3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine (PubChem CID 116870103) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
PubChem CID116870103
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1c(C)cc(C2(CCCN)COC2)cc1C
InChIInChI=1S/C15H23NO2/c1-11-7-13(8-12(2)14(11)17-3)15(5-4-6-16)9-18-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyGCIAODMVZFSTKH-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-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanol
CID 116829779
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanethiol
CID 116872512
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870298
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
CID 116870061
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
[3-(2-methoxy-3,4,6-trimethylphenyl)oxetan-3-yl]methanethiol
CID 116872520
2-[3-(4-methoxy-2,3,5-trimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869665

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine (CID 116870103) is 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine is COc1c(C)cc(C2(CCCN)COC2)cc1C.
What is the InChIKey of 3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
The InChIKey is GCIAODMVZFSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-7-13(8-12(2)14(11)17-3)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-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine?
3-[3-(4-methoxy-3,5-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-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).