1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H20FN3O — CID 64773584

IUPAC1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C15H20FN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3
InChIKeyLMEBTBQOXFBYBL-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 64773584) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID64773584
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCc1ccn(C(C)C)n1
InChIInChI=1S/C15H20FN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3
InChIKeyLMEBTBQOXFBYBL-UHFFFAOYSA-N
XLogP3.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
3-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-1-propan-2-ylpyrazole
CID 107698895
2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 107700400
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 55145919
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 64773584) is 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is CC(N)c1ccc(F)cc1OCc1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is LMEBTBQOXFBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)19-7-6-13(18-19)9-20-15-8-12(16)4-5-14(15)11(3)17/h4-8,10-11H,9,17H2,1-3H3.
What are the key properties of 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 64773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).