2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol

C12H17F2NO3 — CID 82217071

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESOCCN(CCO)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO3/c13-10-2-1-9(7-11(10)14)12(18)8-15(3-5-16)4-6-17/h1-2,7,12,16-18H,3-6,8H2
InChIKeyFBIDFWFJFBSHGJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.28
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol

2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 82217071) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
PubChem CID82217071
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESOCCN(CCO)CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO3/c13-10-2-1-9(7-11(10)14)12(18)8-15(3-5-16)4-6-17/h1-2,7,12,16-18H,3-6,8H2
InChIKeyFBIDFWFJFBSHGJ-UHFFFAOYSA-N
XLogP0.28
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)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-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
2-[benzyl-[(2R)-2-(3,4-difluorophenyl)but-3-enyl]amino]ethanol
CID 141065141

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol (CID 82217071) is 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol is OCCN(CCO)CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is FBIDFWFJFBSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-10-2-1-9(7-11(10)14)12(18)8-15(3-5-16)4-6-17/h1-2,7,12,16-18H,3-6,8H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol?
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 261.27 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 82217071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).