2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

C12H14ClFN4 — CID 114687616

IUPAC2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1cnnn1C
InChIInChI=1S/C12H14ClFN4/c1-15-11(12-7-16-17-18(12)2)5-8-3-4-9(14)6-10(8)13/h3-4,6-7,11,15H,5H2,1-2H3
InChIKeyIFTWBOMIVLUVQS-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 114687616) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID114687616
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1cnnn1C
InChIInChI=1S/C12H14ClFN4/c1-15-11(12-7-16-17-18(12)2)5-8-3-4-9(14)6-10(8)13/h3-4,6-7,11,15H,5H2,1-2H3
InChIKeyIFTWBOMIVLUVQS-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-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-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155784
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine (CID 114687616) is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is CNC(Cc1ccc(F)cc1Cl)c1cnnn1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is IFTWBOMIVLUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-15-11(12-7-16-17-18(12)2)5-8-3-4-9(14)6-10(8)13/h3-4,6-7,11,15H,5H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 268.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).