1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

C17H22N2O2 — CID 60859643

IUPAC1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1cccnc1OC
InChIInChI=1S/C17H22N2O2/c1-4-21-16-10-6-5-9-15(16)13(2)19-12-14-8-7-11-18-17(14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyBMHZEDKLMMJYAP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine

1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 60859643) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID60859643
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1cccnc1OC
InChIInChI=1S/C17H22N2O2/c1-4-21-16-10-6-5-9-15(16)13(2)19-12-14-8-7-11-18-17(14)20-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyBMHZEDKLMMJYAP-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-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 103777325
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 60859643) is 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is CCOc1ccccc1C(C)NCc1cccnc1OC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is BMHZEDKLMMJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-16-10-6-5-9-15(16)13(2)19-12-14-8-7-11-18-17(14)20-3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine?
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-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-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 60859643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).