(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol

C17H19F2NO2 — CID 94957732

IUPAC(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
SMILESOCCN(Cc1ccccc1)C[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2NO2/c18-14-6-7-16(19)15(10-14)17(22)12-20(8-9-21)11-13-4-2-1-3-5-13/h1-7,10,17,21-22H,8-9,11-12H2/t17-/m0/s1
InChIKeyJAJGVTQDKVCQLH-KRWDZBQOSA-N
MW307.34 g/mol
LogP2.49
Rot. Bonds7

About (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol

(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol (PubChem CID 94957732) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
PubChem CID94957732
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
SMILESOCCN(Cc1ccccc1)C[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2NO2/c18-14-6-7-16(19)15(10-14)17(22)12-20(8-9-21)11-13-4-2-1-3-5-13/h1-7,10,17,21-22H,8-9,11-12H2/t17-/m0/s1
InChIKeyJAJGVTQDKVCQLH-KRWDZBQOSA-N
XLogP2.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
2-[benzyl-[(2R)-2-(3,4-difluorophenyl)but-3-enyl]amino]ethanol
CID 141065141
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
7-[benzyl(2-hydroxyethyl)amino]heptane-1,6-diol
CID 54202993
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
1-(2-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103240
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol (CID 94957732) is (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol is OCCN(Cc1ccccc1)C[C@H](O)c1cc(F)ccc1F.
What is the InChIKey of (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol?
The InChIKey is JAJGVTQDKVCQLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19F2NO2/c18-14-6-7-16(19)15(10-14)17(22)12-20(8-9-21)11-13-4-2-1-3-5-13/h1-7,10,17,21-22H,8-9,11-12H2/t17-/m0/s1.
What are the key properties of (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol?
(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol has a molecular weight of 307.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 94957732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).