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

C15H23NO3 — CID 116870101

IUPAC3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1cc(C)c(C2(CCCN)COC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-11-7-12(17-2)8-13(18-3)14(11)15(5-4-6-16)9-19-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyMURCEGQOODVCBT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.02
Rot. Bonds6

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

3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine (PubChem CID 116870101) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
PubChem CID116870101
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
SMILESCOc1cc(C)c(C2(CCCN)COC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-11-7-12(17-2)8-13(18-3)14(11)15(5-4-6-16)9-19-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyMURCEGQOODVCBT-UHFFFAOYSA-N
XLogP2.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870103
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194
N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519518
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
3-(chloromethyl)-3-(4-methoxy-2,3,6-trimethylphenyl)oxetane
CID 116871462
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine (CID 116870101) is 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine is COc1cc(C)c(C2(CCCN)COC2)c(OC)c1.
What is the InChIKey of 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine?
The InChIKey is MURCEGQOODVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-7-12(17-2)8-13(18-3)14(11)15(5-4-6-16)9-19-10-15/h7-8H,4-6,9-10,16H2,1-3H3.
What are the key properties of 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine?
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).