1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C16H19FN2O — CID 63305698

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncccc2C)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-11-5-4-8-18-16(11)10-19-12(2)14-7-6-13(20-3)9-15(14)17/h4-9,12,19H,10H2,1-3H3
InChIKeySAHLLUMDUUDPOM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63305698) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63305698
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncccc2C)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-11-5-4-8-18-16(11)10-19-12(2)14-7-6-13(20-3)9-15(14)17/h4-9,12,19H,10H2,1-3H3
InChIKeySAHLLUMDUUDPOM-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63306023
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 63305698) is 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is COc1ccc(C(C)NCc2ncccc2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is SAHLLUMDUUDPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-5-4-8-18-16(11)10-19-12(2)14-7-6-13(20-3)9-15(14)17/h4-9,12,19H,10H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63305698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).