3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine

C13H17F2NO — CID 116870264

IUPAC3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1(c2ccc(F)c(F)c2)COC1
InChIInChI=1S/C13H17F2NO/c1-9(6-16)5-13(7-17-8-13)10-2-3-11(14)12(15)4-10/h2-4,9H,5-8,16H2,1H3
InChIKeyYWLHVTVSGDVYTL-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.22
Rot. Bonds4

About 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine

3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine (PubChem CID 116870264) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
PubChem CID116870264
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1(c2ccc(F)c(F)c2)COC1
InChIInChI=1S/C13H17F2NO/c1-9(6-16)5-13(7-17-8-13)10-2-3-11(14)12(15)4-10/h2-4,9H,5-8,16H2,1H3
InChIKeyYWLHVTVSGDVYTL-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870294
3-[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870298
3-[3-(3,4-difluorophenyl)oxetan-3-yl]propanenitrile
CID 116873358
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
CID 137319852
2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine
CID 164662438
[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869892
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299
1-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropan-2-amine
CID 116869998
2-[3-(3,4-difluorophenyl)oxetan-3-yl]butanenitrile
CID 116875499
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine (CID 116870264) is 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine is CC(CN)CC1(c2ccc(F)c(F)c2)COC1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine?
The InChIKey is YWLHVTVSGDVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(6-16)5-13(7-17-8-13)10-2-3-11(14)12(15)4-10/h2-4,9H,5-8,16H2,1H3.
What are the key properties of 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine?
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116870264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).