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

C15H17FN2O — CID 81410736

IUPAC1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(12-6-8-17-9-7-12)18-10-15(19)13-2-4-14(16)5-3-13/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1
InChIKeyBKBIVKQLGATAKY-ZRKZCGFPSA-N
MW260.31 g/mol
LogP2.60
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol (PubChem CID 81410736) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
PubChem CID81410736
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(12-6-8-17-9-7-12)18-10-15(19)13-2-4-14(16)5-3-13/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1
InChIKeyBKBIVKQLGATAKY-ZRKZCGFPSA-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

Analyze 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol with MolForge

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Related Compounds

(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol (CID 81410736) is 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol is C[C@@H](NCC(O)c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol?
The InChIKey is BKBIVKQLGATAKY-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(12-6-8-17-9-7-12)18-10-15(19)13-2-4-14(16)5-3-13/h2-9,11,15,18-19H,10H2,1H3/t11-,15?/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol?
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-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-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol is sourced from PubChem (CID 81410736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).