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

C12H14F2N4O — CID 116642290

IUPAC2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccccc2OC(F)F)nn1
InChIInChI=1S/C12H14F2N4O/c13-12(14)19-11-4-2-1-3-9(11)7-18-8-10(5-6-15)16-17-18/h1-4,8,12H,5-7,15H2
InChIKeyNSTUQSGUJOMBDE-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.43
Rot. Bonds6

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

2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine (PubChem CID 116642290) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
PubChem CID116642290
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccccc2OC(F)F)nn1
InChIInChI=1S/C12H14F2N4O/c13-12(14)19-11-4-2-1-3-9(11)7-18-8-10(5-6-15)16-17-18/h1-4,8,12H,5-7,15H2
InChIKeyNSTUQSGUJOMBDE-UHFFFAOYSA-N
XLogP1.43
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine
CID 116641561
[1-[[2-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]methanamine
CID 122241298
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
CID 62402019
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
2-[4-[2-(difluoromethoxy)phenyl]triazol-1-yl]ethanamine
CID 113412298
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine (CID 116642290) is 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine is NCCc1cn(Cc2ccccc2OC(F)F)nn1.
What is the InChIKey of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine?
The InChIKey is NSTUQSGUJOMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c13-12(14)19-11-4-2-1-3-9(11)7-18-8-10(5-6-15)16-17-18/h1-4,8,12H,5-7,15H2.
What are the key properties of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine?
2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine has a molecular weight of 268.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).