1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C15H16F2N2O — CID 115940775

IUPAC1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(F)cn1)c1cccc(OC)c1F
InChIInChI=1S/C15H16F2N2O/c1-3-15(18,13-8-7-10(16)9-19-13)11-5-4-6-12(20-2)14(11)17/h4-9H,3,18H2,1-2H3
InChIKeyFRWGBKGDZBLWHU-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 115940775) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID115940775
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(F)cn1)c1cccc(OC)c1F
InChIInChI=1S/C15H16F2N2O/c1-3-15(18,13-8-7-10(16)9-19-13)11-5-4-6-12(20-2)14(11)17/h4-9H,3,18H2,1-2H3
InChIKeyFRWGBKGDZBLWHU-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940781
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940834
1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115940849
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080
2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 115940798
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 115940775) is 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(N)(c1ccc(F)cn1)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is FRWGBKGDZBLWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-15(18,13-8-7-10(16)9-19-13)11-5-4-6-12(20-2)14(11)17/h4-9H,3,18H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 278.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115940775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).