1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol

C17H19F2NO — CID 115589638

IUPAC1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
SMILESCC(CNCC(O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-12(13-5-3-2-4-6-13)10-20-11-17(21)14-7-8-15(18)16(19)9-14/h2-9,12,17,20-21H,10-11H2,1H3
InChIKeyYUMZDTPSXFOVAW-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.39
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol

1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol (PubChem CID 115589638) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
PubChem CID115589638
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
SMILESCC(CNCC(O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-12(13-5-3-2-4-6-13)10-20-11-17(21)14-7-8-15(18)16(19)9-14/h2-9,12,17,20-21H,10-11H2,1H3
InChIKeyYUMZDTPSXFOVAW-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
CID 62991182
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol (CID 115589638) is 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol is CC(CNCC(O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol?
The InChIKey is YUMZDTPSXFOVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(13-5-3-2-4-6-13)10-20-11-17(21)14-7-8-15(18)16(19)9-14/h2-9,12,17,20-21H,10-11H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol?
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol has a molecular weight of 291.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol is sourced from PubChem (CID 115589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).