2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

C13H15F2N3 — CID 65200891

IUPAC2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccn(C)n1
InChIInChI=1S/C13H15F2N3/c1-16-12(11-6-7-18(2)17-11)8-9-4-3-5-10(14)13(9)15/h3-7,12,16H,8H2,1-2H3
InChIKeyGGJGNPXWVMCJED-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.20
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200891) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200891
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccn(C)n1
InChIInChI=1S/C13H15F2N3/c1-16-12(11-6-7-18(2)17-11)8-9-4-3-5-10(14)13(9)15/h3-7,12,16H,8H2,1-2H3
InChIKeyGGJGNPXWVMCJED-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
CID 65200268
[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228625
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79712624
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 114023214
3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 65200104
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
N-[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803334
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200891) is 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1cccc(F)c1F)c1ccn(C)n1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is GGJGNPXWVMCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-16-12(11-6-7-18(2)17-11)8-9-4-3-5-10(14)13(9)15/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).