2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

C13H16FN3 — CID 105188357

IUPAC2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccnn1C
InChIInChI=1S/C13H16FN3/c1-9-7-11(14)4-3-10(9)8-12(15)13-5-6-16-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyHSDYCSUPYLUBEY-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105188357) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105188357
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccnn1C
InChIInChI=1S/C13H16FN3/c1-9-7-11(14)4-3-10(9)8-12(15)13-5-6-16-17(13)2/h3-7,12H,8,15H2,1-2H3
InChIKeyHSDYCSUPYLUBEY-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 105188357) is 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is Cc1cc(F)ccc1CC(N)c1ccnn1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is HSDYCSUPYLUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-7-11(14)4-3-10(9)8-12(15)13-5-6-16-17(13)2/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105188357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).