1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine

C15H17FN2O — CID 107693096

IUPAC1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-11(17)8-12-5-6-15(14(16)9-12)19-10-13-4-2-3-7-18-13/h2-7,9,11H,8,10,17H2,1H3
InChIKeyJUOGKXVTEFJREC-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine

1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 107693096) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID107693096
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-11(17)8-12-5-6-15(14(16)9-12)19-10-13-4-2-3-7-18-13/h2-7,9,11H,8,10,17H2,1H3
InChIKeyJUOGKXVTEFJREC-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine (CID 107693096) is 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is JUOGKXVTEFJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(17)8-12-5-6-15(14(16)9-12)19-10-13-4-2-3-7-18-13/h2-7,9,11H,8,10,17H2,1H3.
What are the key properties of 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine?
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 260.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107693096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).