1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine

C17H22N2O2 — CID 62990560

IUPAC1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2ccnc(OC)c2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-16-7-5-15(6-8-16)13(2)19-12-14-9-10-18-17(11-14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJVGLXPJYTFFVGD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine

1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine (PubChem CID 62990560) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
PubChem CID62990560
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCc2ccnc(OC)c2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-16-7-5-15(6-8-16)13(2)19-12-14-9-10-18-17(11-14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJVGLXPJYTFFVGD-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
CID 62992019
methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
CID 103250198
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine (CID 62990560) is 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine is CCOc1ccc(C(C)NCc2ccnc(OC)c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The InChIKey is JVGLXPJYTFFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-16-7-5-15(6-8-16)13(2)19-12-14-9-10-18-17(11-14)20-3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62990560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).