(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

C13H16FN3O — CID 55189579

IUPAC(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCCn1cccn1
InChIInChI=1S/C13H16FN3O/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-2-5-16-17/h2-6,9-10H,7-8,15H2,1H3/t10-/m0/s1
InChIKeyAUDWBSVSVPJESY-JTQLQIEISA-N
MW249.29 g/mol
LogP2.12
Rot. Bonds5

About (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine

(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (PubChem CID 55189579) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
PubChem CID55189579
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCCn1cccn1
InChIInChI=1S/C13H16FN3O/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-2-5-16-17/h2-6,9-10H,7-8,15H2,1H3/t10-/m0/s1
InChIKeyAUDWBSVSVPJESY-JTQLQIEISA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(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
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
4-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 65247062
1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
CID 63066537
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
3-(2-pyrazol-1-ylethoxy)pyridin-2-amine
CID 61491639

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine (CID 55189579) is (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(F)cc1OCCn1cccn1.
What is the InChIKey of (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
The InChIKey is AUDWBSVSVPJESY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16FN3O/c1-10(15)12-4-3-11(14)9-13(12)18-8-7-17-6-2-5-16-17/h2-6,9-10H,7-8,15H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine?
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 55189579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).