[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine

C13H17F2NO — CID 55150685

IUPAC[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CCCOC1
InChIInChI=1S/C13H17F2NO/c14-11-4-1-3-10(12(11)15)7-13(8-16)5-2-6-17-9-13/h1,3-4H,2,5-9,16H2
InChIKeyZOUMYOAVUFVOGG-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.26
Rot. Bonds3

About [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine

[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine (PubChem CID 55150685) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine
PubChem CID55150685
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine
SMILESNCC1(Cc2cccc(F)c2F)CCCOC1
InChIInChI=1S/C13H17F2NO/c14-11-4-1-3-10(12(11)15)7-13(8-16)5-2-6-17-9-13/h1,3-4H,2,5-9,16H2
InChIKeyZOUMYOAVUFVOGG-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine (CID 55150685) is [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine is NCC1(Cc2cccc(F)c2F)CCCOC1.
What is the InChIKey of [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine?
The InChIKey is ZOUMYOAVUFVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-4-1-3-10(12(11)15)7-13(8-16)5-2-6-17-9-13/h1,3-4H,2,5-9,16H2.
What are the key properties of [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine?
[3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3-difluorophenyl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 55150685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).