1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine

C11H12F2N4 — CID 107049092

IUPAC1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(F)cc2F)nn1
InChIInChI=1S/C11H12F2N4/c1-17-6-8(15-16-17)5-11(14)9-3-2-7(12)4-10(9)13/h2-4,6,11H,5,14H2,1H3
InChIKeyKVDSQSPVCQKJJT-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.34
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107049092) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107049092
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(F)cc2F)nn1
InChIInChI=1S/C11H12F2N4/c1-17-6-8(15-16-17)5-11(14)9-3-2-7(12)4-10(9)13/h2-4,6,11H,5,14H2,1H3
InChIKeyKVDSQSPVCQKJJT-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-(1-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

1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064355
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064617
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
2-(4-fluoro-2-methylphenyl)-1-(1-methyltriazol-4-yl)ethanamine
CID 112735901

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107049092) is 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2ccc(F)cc2F)nn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is KVDSQSPVCQKJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-17-6-8(15-16-17)5-11(14)9-3-2-7(12)4-10(9)13/h2-4,6,11H,5,14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 238.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).