1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol

C14H19F2NO2 — CID 54941852

IUPAC1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c15-10-4-5-12(13(16)7-10)14(18)9-17-8-11-3-1-2-6-19-11/h4-5,7,11,14,17-18H,1-3,6,8-9H2
InChIKeyPVDDEFPLMBLZBE-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.16
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol

1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol (PubChem CID 54941852) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
PubChem CID54941852
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2/c15-10-4-5-12(13(16)7-10)14(18)9-17-8-11-3-1-2-6-19-11/h4-5,7,11,14,17-18H,1-3,6,8-9H2
InChIKeyPVDDEFPLMBLZBE-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane
CID 97221001

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol (CID 54941852) is 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol is OC(CNCC1CCCCO1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The InChIKey is PVDDEFPLMBLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-10-4-5-12(13(16)7-10)14(18)9-17-8-11-3-1-2-6-19-11/h4-5,7,11,14,17-18H,1-3,6,8-9H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol is sourced from PubChem (CID 54941852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).