(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol

C17H20FNO — CID 103948350

IUPAC(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
SMILESCCC(N[C@H](CO)c1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-2-16(14-10-6-7-11-15(14)18)19-17(12-20)13-8-4-3-5-9-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1
InChIKeyDJQJOCOIQNZWNE-ZYMOGRSISA-N
MW273.35 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol

(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol (PubChem CID 103948350) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
PubChem CID103948350
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
SMILESCCC(N[C@H](CO)c1ccccc1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-2-16(14-10-6-7-11-15(14)18)19-17(12-20)13-8-4-3-5-9-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1
InChIKeyDJQJOCOIQNZWNE-ZYMOGRSISA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
2-[(1R)-1-[[(1R)-2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]amino]propyl]phenol
CID 124592742
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol (CID 103948350) is (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol is CCC(N[C@H](CO)c1ccccc1)c1ccccc1F.
What is the InChIKey of (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol?
The InChIKey is DJQJOCOIQNZWNE-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-16(14-10-6-7-11-15(14)18)19-17(12-20)13-8-4-3-5-9-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol?
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol has a molecular weight of 273.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol is sourced from PubChem (CID 103948350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).