2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C13H15F2N3O — CID 105046902

IUPAC2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c1-18-13(12(19-2)7-17-18)11(16)6-8-9(14)4-3-5-10(8)15/h3-5,7,11H,6,16H2,1-2H3
InChIKeyGKYVECRPBWXHOD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.95
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 105046902) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID105046902
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c1-18-13(12(19-2)7-17-18)11(16)6-8-9(14)4-3-5-10(8)15/h3-5,7,11H,6,16H2,1-2H3
InChIKeyGKYVECRPBWXHOD-UHFFFAOYSA-N
XLogP1.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 105046902) is 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is COc1cnn(C)c1C(N)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is GKYVECRPBWXHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-18-13(12(19-2)7-17-18)11(16)6-8-9(14)4-3-5-10(8)15/h3-5,7,11H,6,16H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 267.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105046902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).