1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine

C11H13F2NO — CID 116869258

IUPAC1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)cc2F)COC1
InChIInChI=1S/C11H13F2NO/c1-14-5-11(6-15-7-11)9-3-2-8(12)4-10(9)13/h2-4,14H,5-7H2,1H3
InChIKeyCLGKMWITDVJUOE-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.45
Rot. Bonds3

About 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine

1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869258) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869258
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)cc2F)COC1
InChIInChI=1S/C11H13F2NO/c1-14-5-11(6-15-7-11)9-3-2-8(12)4-10(9)13/h2-4,14H,5-7H2,1H3
InChIKeyCLGKMWITDVJUOE-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
1-[3-(2,5-difluoro-4-methoxyphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869308
N-methyl-1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]methanamine
CID 116869315
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
1-[3-(2,4-dimethoxy-3-methylphenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869271
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008669
1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine
CID 65001580

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine (CID 116869258) is 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2ccc(F)cc2F)COC1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is CLGKMWITDVJUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-5-11(6-15-7-11)9-3-2-8(12)4-10(9)13/h2-4,14H,5-7H2,1H3.
What are the key properties of 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 213.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).