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

C13H15ClFN3 — CID 82806793

IUPAC2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccnn1C
InChIInChI=1S/C13H15ClFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(14)13(9)15/h3-7,11,16H,8H2,1-2H3
InChIKeyWWQWBUZNEUUJMV-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.72
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 82806793) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID82806793
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccnn1C
InChIInChI=1S/C13H15ClFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(14)13(9)15/h3-7,11,16H,8H2,1-2H3
InChIKeyWWQWBUZNEUUJMV-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

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792
2-(3-chloro-2-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 82806277
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 102866361
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 82806793) is 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(Cc1cccc(Cl)c1F)c1ccnn1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is WWQWBUZNEUUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-16-11(12-6-7-17-18(12)2)8-9-4-3-5-10(14)13(9)15/h3-7,11,16H,8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-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 2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82806793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).