1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine

C12H15F2NO2 — CID 116869308

IUPAC1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2cc(F)c(OC)cc2F)COC1
InChIInChI=1S/C12H15F2NO2/c1-15-5-12(6-17-7-12)8-3-10(14)11(16-2)4-9(8)13/h3-4,15H,5-7H2,1-2H3
InChIKeyWXZNWDBDJKTSPW-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.46
Rot. Bonds4

About 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine

1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869308) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869308
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2cc(F)c(OC)cc2F)COC1
InChIInChI=1S/C12H15F2NO2/c1-15-5-12(6-17-7-12)8-3-10(14)11(16-2)4-9(8)13/h3-4,15H,5-7H2,1-2H3
InChIKeyWXZNWDBDJKTSPW-UHFFFAOYSA-N
XLogP1.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]methanol
CID 116829775
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869271
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]ethanone
CID 116873775
3-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]azetidine
CID 116870765
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006264
methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine (CID 116869308) is 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2cc(F)c(OC)cc2F)COC1.
What is the InChIKey of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is WXZNWDBDJKTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-15-5-12(6-17-7-12)8-3-10(14)11(16-2)4-9(8)13/h3-4,15H,5-7H2,1-2H3.
What are the key properties of 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 243.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).