2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

C15H19ClFN3 — CID 63974493

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C15H19ClFN3/c1-3-9-20-15(7-8-19-20)14(18-2)10-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9-10H2,1-2H3
InChIKeyFTDKNOCCKHELHU-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63974493) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63974493
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C15H19ClFN3/c1-3-9-20-15(7-8-19-20)14(18-2)10-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9-10H2,1-2H3
InChIKeyFTDKNOCCKHELHU-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-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-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 63977457
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66146843
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66070427

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (CID 63974493) is 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(Cc1c(F)cccc1Cl)NC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is FTDKNOCCKHELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-9-20-15(7-8-19-20)14(18-2)10-11-12(16)5-4-6-13(11)17/h4-8,14,18H,3,9-10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 295.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63974493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).