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

C16H19FN2O2 — CID 82991384

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2cccnc2OC)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-11(12-6-7-14(17)15(9-12)20-2)19-10-13-5-4-8-18-16(13)21-3/h4-9,11,19H,10H2,1-3H3
InChIKeyDBVIKPHRXHZJTN-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds6

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

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 82991384) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID82991384
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2cccnc2OC)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-11(12-6-7-14(17)15(9-12)20-2)19-10-13-5-4-8-18-16(13)21-3/h4-9,11,19H,10H2,1-3H3
InChIKeyDBVIKPHRXHZJTN-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373
1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 83075054
1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 82991384) is 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is COc1cc(C(C)NCc2cccnc2OC)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is DBVIKPHRXHZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11(12-6-7-14(17)15(9-12)20-2)19-10-13-5-4-8-18-16(13)21-3/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 290.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82991384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).