1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

C17H21FN2O — CID 115938648

IUPAC1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(OC)c1)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-4-16(17-9-8-14(18)11-19-17)20-12(2)13-6-5-7-15(10-13)21-3/h5-12,16,20H,4H2,1-3H3
InChIKeyOQOCGBNORSBRMR-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.03
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 115938648) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID115938648
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(OC)c1)c1ccc(F)cn1
InChIInChI=1S/C17H21FN2O/c1-4-16(17-9-8-14(18)11-19-17)20-12(2)13-6-5-7-15(10-13)21-3/h5-12,16,20H,4H2,1-3H3
InChIKeyOQOCGBNORSBRMR-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
(5-fluoro-2-pyridinyl)-(3-methoxyphenyl)methanol
CID 79723849
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81354880
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 115938648) is 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is CCC(NC(C)c1cccc(OC)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is OQOCGBNORSBRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-16(17-9-8-14(18)11-19-17)20-12(2)13-6-5-7-15(10-13)21-3/h5-12,16,20H,4H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115938648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).