1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine

C11H13FN4 — CID 114420088

IUPAC1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-8(13)11-7-16(15-14-11)6-9-4-2-3-5-10(9)12/h2-5,7-8H,6,13H2,1H3
InChIKeyUOWUUXAJDGBXPL-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine

1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine (PubChem CID 114420088) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
PubChem CID114420088
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C11H13FN4/c1-8(13)11-7-16(15-14-11)6-9-4-2-3-5-10(9)12/h2-5,7-8H,6,13H2,1H3
InChIKeyUOWUUXAJDGBXPL-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
4-(1-bromoethyl)-1-[(2,3-difluorophenyl)methyl]triazole
CID 81448341
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]triazol-4-yl]ethanamine
CID 106270777
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419411
1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419762

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine (CID 114420088) is 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine is CC(N)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine?
The InChIKey is UOWUUXAJDGBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8(13)11-7-16(15-14-11)6-9-4-2-3-5-10(9)12/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine?
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).