2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

C13H16FN3O — CID 112615203

IUPAC2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCCn1cccn1
InChIInChI=1S/C13H16FN3O/c14-12-4-1-3-11(5-6-15)13(12)18-10-9-17-8-2-7-16-17/h1-4,7-8H,5-6,9-10,15H2
InChIKeyFGUXXDOYHLWVRZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.60
Rot. Bonds6

About 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 112615203) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
PubChem CID112615203
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCCn1cccn1
InChIInChI=1S/C13H16FN3O/c14-12-4-1-3-11(5-6-15)13(12)18-10-9-17-8-2-7-16-17/h1-4,7-8H,5-6,9-10,15H2
InChIKeyFGUXXDOYHLWVRZ-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (CID 112615203) is 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCCn1cccn1.
What is the InChIKey of 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is FGUXXDOYHLWVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-12-4-1-3-11(5-6-15)13(12)18-10-9-17-8-2-7-16-17/h1-4,7-8H,5-6,9-10,15H2.
What are the key properties of 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 112615203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).