1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

C14H19F2NO3 — CID 104760733

IUPAC1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOC1(CNCC(O)c2ccc(F)c(F)c2)CCOC1
InChIInChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,13,17-18H,4-5,7-9H2,1H3
InChIKeyAPRPHPHJKUWMAC-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.39
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (PubChem CID 104760733) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
PubChem CID104760733
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOC1(CNCC(O)c2ccc(F)c(F)c2)CCOC1
InChIInChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,13,17-18H,4-5,7-9H2,1H3
InChIKeyAPRPHPHJKUWMAC-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-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol with MolForge

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Related Compounds

1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760706
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
CID 99777290
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044
1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
CID 114756441
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
CID 104761009
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (CID 104760733) is 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is COC1(CNCC(O)c2ccc(F)c(F)c2)CCOC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The InChIKey is APRPHPHJKUWMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-19-14(4-5-20-9-14)8-17-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,13,17-18H,4-5,7-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
1-(3,4-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-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is sourced from PubChem (CID 104760733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).