2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H20FN3O — CID 107700400

IUPAC2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2ccc(F)cc2CCN)n1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-8-6-14(18-19)10-20-15-4-3-13(16)9-12(15)5-7-17/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyAGXLJGBTUIMBSU-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.68
Rot. Bonds6

About 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 107700400) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID107700400
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2ccc(F)cc2CCN)n1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-8-6-14(18-19)10-20-15-4-3-13(16)9-12(15)5-7-17/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3
InChIKeyAGXLJGBTUIMBSU-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-1-propan-2-ylpyrazole
CID 107698895
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772922
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 107700400) is 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is CC(C)n1ccc(COc2ccc(F)cc2CCN)n1.
What is the InChIKey of 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is AGXLJGBTUIMBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(2)19-8-6-14(18-19)10-20-15-4-3-13(16)9-12(15)5-7-17/h3-4,6,8-9,11H,5,7,10,17H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107700400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).