1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol

C18H19FN4O — CID 111466363

IUPAC1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
SMILESCc1cc(CNCC(O)c2ccc(F)cc2)ccc1-n1cncn1
InChIInChI=1S/C18H19FN4O/c1-13-8-14(2-7-17(13)23-12-21-11-22-23)9-20-10-18(24)15-3-5-16(19)6-4-15/h2-8,11-12,18,20,24H,9-10H2,1H3
InChIKeyROXVHNXFIZPIHM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol

1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol (PubChem CID 111466363) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
PubChem CID111466363
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
SMILESCc1cc(CNCC(O)c2ccc(F)cc2)ccc1-n1cncn1
InChIInChI=1S/C18H19FN4O/c1-13-8-14(2-7-17(13)23-12-21-11-22-23)9-20-10-18(24)15-3-5-16(19)6-4-15/h2-8,11-12,18,20,24H,9-10H2,1H3
InChIKeyROXVHNXFIZPIHM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol (CID 111466363) is 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol is Cc1cc(CNCC(O)c2ccc(F)cc2)ccc1-n1cncn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The InChIKey is ROXVHNXFIZPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-13-8-14(2-7-17(13)23-12-21-11-22-23)9-20-10-18(24)15-3-5-16(19)6-4-15/h2-8,11-12,18,20,24H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol has a molecular weight of 326.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol is sourced from PubChem (CID 111466363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).