1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine

C16H22FN3O — CID 103013256

IUPAC1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C16H22FN3O/c1-3-14(18)9-12-8-13(17)11-16(10-12)21-7-5-15-4-6-19-20(15)2/h4,6,8,10-11,14H,3,5,7,9,18H2,1-2H3
InChIKeyRGBPGGICTAVGRY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.46
Rot. Bonds7

About 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine

1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine (PubChem CID 103013256) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
PubChem CID103013256
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C16H22FN3O/c1-3-14(18)9-12-8-13(17)11-16(10-12)21-7-5-15-4-6-19-20(15)2/h4,6,8,10-11,14H,3,5,7,9,18H2,1-2H3
InChIKeyRGBPGGICTAVGRY-UHFFFAOYSA-N
XLogP2.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 103000028
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
[1-(3,5-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026693
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine (CID 103013256) is 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)cc(OCCc2ccnn2C)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine?
The InChIKey is RGBPGGICTAVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-14(18)9-12-8-13(17)11-16(10-12)21-7-5-15-4-6-19-20(15)2/h4,6,8,10-11,14H,3,5,7,9,18H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine?
1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 103013256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).