(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol

C18H19FN4O — CID 32514516

IUPAC(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol
SMILESC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H19FN4O/c1-13(21-10-18(24)15-2-6-16(19)7-3-15)14-4-8-17(9-5-14)23-12-20-11-22-23/h2-9,11-13,18,21,24H,10H2,1H3/t13-,18-/m1/s1
InChIKeyHUYSANRTMBUOEN-FZKQIMNGSA-N
MW326.38 g/mol
LogP2.79
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol

(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol (PubChem CID 32514516) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol
PubChem CID32514516
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol
SMILESC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H19FN4O/c1-13(21-10-18(24)15-2-6-16(19)7-3-15)14-4-8-17(9-5-14)23-12-20-11-22-23/h2-9,11-13,18,21,24H,10H2,1H3/t13-,18-/m1/s1
InChIKeyHUYSANRTMBUOEN-FZKQIMNGSA-N
XLogP2.79
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol with MolForge

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Related Compounds

1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 16074064
1-[(4-Aminophenyl)methyl-methyl-amino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11617693
2-(2,4-Difluorophenyl)-1-(4-propan-2-ylanilino)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 135209013
1-[2-fluoro-6-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol
CID 43506235
1-[4-(4-Amino-2-fluoro-phenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 17752985
2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide
CID 49818763
2-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-4-(p-tolyl)-1,2,4-triazol-3-one
CID 53330835
4-[Cyclopropyl-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]benzonitrile
CID 71451638
1-[(2R,3R)-3-hydroxy-3-phenyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(trifluoromethyl)phenyl]tetrazol-5-one
CID 155550319
1-(4-fluorophenyl)-4-[(2R,3R)-3-hydroxy-3-phenyl-4-(1,2,4-triazol-1-yl)butan-2-yl]tetrazol-5-one
CID 155562450
N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 141464679
(1R)-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethan-1-ol
CID 25324442

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol (CID 32514516) is (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol is C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol?
The InChIKey is HUYSANRTMBUOEN-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-13(21-10-18(24)15-2-6-16(19)7-3-15)14-4-8-17(9-5-14)23-12-20-11-22-23/h2-9,11-13,18,21,24H,10H2,1H3/t13-,18-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol has a molecular weight of 326.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanol is sourced from PubChem (CID 32514516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).