1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol

C15H17FN2O — CID 81401380

IUPAC1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H17FN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m0/s1
InChIKeyJPGIHAXNANJQRH-VPHXOMNUSA-N
MW260.31 g/mol
LogP2.60
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol

1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol (PubChem CID 81401380) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
PubChem CID81401380
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H17FN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m0/s1
InChIKeyJPGIHAXNANJQRH-VPHXOMNUSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
CID 110902098
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol (CID 81401380) is 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol is C[C@H](NCC(O)c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
The InChIKey is JPGIHAXNANJQRH-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(14-4-2-3-9-17-14)18-10-15(19)12-5-7-13(16)8-6-12/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol?
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol has a molecular weight of 260.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol is sourced from PubChem (CID 81401380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).