(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol

C13H20FNO2 — CID 63371229

IUPAC(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
SMILESCCCN(CCO)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO2/c1-3-6-15(7-8-16)13-5-4-11(14)9-12(13)10(2)17/h4-5,9-10,16-17H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyGJZWSNROSWFSAZ-SNVBAGLBSA-N
MW241.31 g/mol
LogP2.09
Rot. Bonds6

About (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol

(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol (PubChem CID 63371229) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
PubChem CID63371229
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
SMILESCCCN(CCO)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C13H20FNO2/c1-3-6-15(7-8-16)13-5-4-11(14)9-12(13)10(2)17/h4-5,9-10,16-17H,3,6-8H2,1-2H3/t10-/m1/s1
InChIKeyGJZWSNROSWFSAZ-SNVBAGLBSA-N
XLogP2.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
CID 54879809
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
3-[4-fluoro-2-(1-hydroxyethyl)-N-propan-2-ylanilino]propan-1-ol
CID 54994679
2-[N-(cyanomethyl)-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]acetonitrile
CID 78939218
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
CID 78939401
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol (CID 63371229) is (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol is CCCN(CCO)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The InChIKey is GJZWSNROSWFSAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-6-15(7-8-16)13-5-4-11(14)9-12(13)10(2)17/h4-5,9-10,16-17H,3,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol is sourced from PubChem (CID 63371229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).