(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

C13H16FN3O — CID 55190110

IUPAC(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1cnn(C)c1
InChIInChI=1S/C13H16FN3O/c1-9(15)12-4-3-11(14)5-13(12)18-8-10-6-16-17(2)7-10/h3-7,9H,8,15H2,1-2H3/t9-/m1/s1
InChIKeyMIJUOGQFKXMHQK-SECBINFHSA-N
MW249.29 g/mol
LogP2.16
Rot. Bonds4

About (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 55190110) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID55190110
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1cnn(C)c1
InChIInChI=1S/C13H16FN3O/c1-9(15)12-4-3-11(14)5-13(12)18-8-10-6-16-17(2)7-10/h3-7,9H,8,15H2,1-2H3/t9-/m1/s1
InChIKeyMIJUOGQFKXMHQK-SECBINFHSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (CID 55190110) is (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1OCc1cnn(C)c1.
What is the InChIKey of (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is MIJUOGQFKXMHQK-SECBINFHSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(15)12-4-3-11(14)5-13(12)18-8-10-6-16-17(2)7-10/h3-7,9H,8,15H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 55190110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).