1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine

C15H20FN3O — CID 115958849

IUPAC1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCc1cnn(C)c1
InChIInChI=1S/C15H20FN3O/c1-3-13(17)7-12-5-4-6-14(16)15(12)20-10-11-8-18-19(2)9-11/h4-6,8-9,13H,3,7,10,17H2,1-2H3
InChIKeyIGWSJRXWWWLQGF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.42
Rot. Bonds6

About 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine

1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 115958849) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID115958849
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCc1cnn(C)c1
InChIInChI=1S/C15H20FN3O/c1-3-13(17)7-12-5-4-6-14(16)15(12)20-10-11-8-18-19(2)9-11/h4-6,8-9,13H,3,7,10,17H2,1-2H3
InChIKeyIGWSJRXWWWLQGF-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958814
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
N-[[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953397
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
[3-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 61389688
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990
1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728472
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine (CID 115958849) is 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OCc1cnn(C)c1.
What is the InChIKey of 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is IGWSJRXWWWLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-13(17)7-12-5-4-6-14(16)15(12)20-10-11-8-18-19(2)9-11/h4-6,8-9,13H,3,7,10,17H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 115958849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).