1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol

C14H19F2NO2 — CID 110898634

IUPAC1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCO1)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyCVAQCUIVXNPFBV-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.11
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol

1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (PubChem CID 110898634) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
PubChem CID110898634
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCO1)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyCVAQCUIVXNPFBV-UHFFFAOYSA-N
XLogP2.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]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-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (CID 110898634) is 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is CN(CC1CCCO1)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The InChIKey is CVAQCUIVXNPFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-17(8-11-3-2-6-19-11)9-14(18)12-7-10(15)4-5-13(12)16/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 110898634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).