1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol

C14H19F2NO2 — CID 54938804

IUPAC1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCCO1
InChIInChI=1S/C14H19F2NO2/c1-9(14-3-2-6-19-14)17-8-13(18)10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17-18H,2-3,6,8H2,1H3
InChIKeyNDEMVBHSDZEFHA-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.16
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol

1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol (PubChem CID 54938804) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
PubChem CID54938804
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCCO1
InChIInChI=1S/C14H19F2NO2/c1-9(14-3-2-6-19-14)17-8-13(18)10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17-18H,2-3,6,8H2,1H3
InChIKeyNDEMVBHSDZEFHA-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

Analyze 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]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

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol
CID 103910298
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62584856
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
CID 54938328
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol (CID 54938804) is 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol is CC(NCC(O)c1ccc(F)c(F)c1)C1CCCO1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol?
The InChIKey is NDEMVBHSDZEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(14-3-2-6-19-14)17-8-13(18)10-4-5-11(15)12(16)7-10/h4-5,7,9,13-14,17-18H,2-3,6,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol?
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]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-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol is sourced from PubChem (CID 54938804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).