2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine

C14H18F2N4 — CID 105038647

IUPAC2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1c(F)cccc1F)NC
InChIInChI=1S/C14H18F2N4/c1-3-7-20-14(9-18-19-20)13(17-2)8-10-11(15)5-4-6-12(10)16/h4-6,9,13,17H,3,7-8H2,1-2H3
InChIKeySZUKYQFHKGKWGB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.47
Rot. Bonds6

About 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine

2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 105038647) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID105038647
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1c(F)cccc1F)NC
InChIInChI=1S/C14H18F2N4/c1-3-7-20-14(9-18-19-20)13(17-2)8-10-11(15)5-4-6-12(10)16/h4-6,9,13,17H,3,7-8H2,1-2H3
InChIKeySZUKYQFHKGKWGB-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-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-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (CID 105038647) is 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1c(F)cccc1F)NC.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is SZUKYQFHKGKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-3-7-20-14(9-18-19-20)13(17-2)8-10-11(15)5-4-6-12(10)16/h4-6,9,13,17H,3,7-8H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 280.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105038647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).