1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine

C13H17F2NO — CID 79365802

IUPAC1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-16-8-9-3-2-6-17-13(9)11-7-10(14)4-5-12(11)15/h4-5,7,9,13,16H,2-3,6,8H2,1H3
InChIKeyMOZISKZLRPWXOX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine

1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine (PubChem CID 79365802) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
PubChem CID79365802
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-16-8-9-3-2-6-17-13(9)11-7-10(14)4-5-12(11)15/h4-5,7,9,13,16H,2-3,6,8H2,1H3
InChIKeyMOZISKZLRPWXOX-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)oxan-3-amine
CID 79365961
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
3-(chloromethyl)-2-(2,4-difluorophenyl)oxane
CID 79372640
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79364625
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
N-[[2-(4-chloro-2-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 114867635
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine (CID 79365802) is 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine is CNCC1CCCOC1c1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine?
The InChIKey is MOZISKZLRPWXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-8-9-3-2-6-17-13(9)11-7-10(14)4-5-12(11)15/h4-5,7,9,13,16H,2-3,6,8H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine?
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).