1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine

C11H12ClFN4 — CID 107063926

IUPAC1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C11H12ClFN4/c1-17-6-7(15-16-17)5-10(14)11-8(12)3-2-4-9(11)13/h2-4,6,10H,5,14H2,1H3
InChIKeyJFITZFXSXHFJAV-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063926) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063926
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C11H12ClFN4/c1-17-6-7(15-16-17)5-10(14)11-8(12)3-2-4-9(11)13/h2-4,6,10H,5,14H2,1H3
InChIKeyJFITZFXSXHFJAV-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064355
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048204
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
2-[(2-chlorophenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052828
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107063926) is 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is JFITZFXSXHFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-17-6-7(15-16-17)5-10(14)11-8(12)3-2-4-9(11)13/h2-4,6,10H,5,14H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 254.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).