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

C13H15ClFN3 — CID 105025688

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-16-12(8-9-6-7-18(2)17-9)13-10(14)4-3-5-11(13)15/h3-7,12,16H,8H2,1-2H3
InChIKeyQWOCVBFXECKGRZ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.72
Rot. Bonds4

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

1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025688) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025688
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-16-12(8-9-6-7-18(2)17-9)13-10(14)4-3-5-11(13)15/h3-7,12,16H,8H2,1-2H3
InChIKeyQWOCVBFXECKGRZ-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
1-(2,6-difluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79522561
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997235
1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001764
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025395
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-[1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82878248
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
N-methyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82876005
N-methyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 82877517
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140976

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025688) is 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is QWOCVBFXECKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-16-12(8-9-6-7-18(2)17-9)13-10(14)4-3-5-11(13)15/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).