4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol

C14H19F2NO2 — CID 115746943

IUPAC4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC1(O)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-2-3-12(15)13(16)8-11/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyZBOTYIWEFLMMLT-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.94
Rot. Bonds4

About 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 115746943) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID115746943
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC1(O)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-2-3-12(15)13(16)8-11/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyZBOTYIWEFLMMLT-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115749285
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-fluoro-3-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzonitrile
CID 115746953
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
1-(2,4-difluorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950493
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
CID 114947947
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol (CID 115746943) is 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1ccc(F)c(F)c1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is ZBOTYIWEFLMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-17(10-14(18)4-6-19-7-5-14)9-11-2-3-12(15)13(16)8-11/h2-3,8,18H,4-7,9-10H2,1H3.
What are the key properties of 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 271.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 115746943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).