1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

C14H19F2NO3 — CID 104760984

IUPAC1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOC1(CNCC(O)c2cc(F)ccc2F)CCOC1
InChIInChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)11-6-10(15)2-3-12(11)16/h2-3,6,13,17-18H,4-5,7-9H2,1H3
InChIKeyLJJYNKZFRGSCLZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.39
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (PubChem CID 104760984) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
PubChem CID104760984
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOC1(CNCC(O)c2cc(F)ccc2F)CCOC1
InChIInChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)11-6-10(15)2-3-12(11)16/h2-3,6,13,17-18H,4-5,7-9H2,1H3
InChIKeyLJJYNKZFRGSCLZ-UHFFFAOYSA-N
XLogP1.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760706
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 106100636
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
CID 80722671
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (CID 104760984) is 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is COC1(CNCC(O)c2cc(F)ccc2F)CCOC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The InChIKey is LJJYNKZFRGSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)11-6-10(15)2-3-12(11)16/h2-3,6,13,17-18H,4-5,7-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol has a molecular weight of 287.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is sourced from PubChem (CID 104760984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).