1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C17H22N2O2 — CID 63305644

IUPAC1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCCOc1cc(CNCc2ncccc2C)ccc1OC
InChIInChI=1S/C17H22N2O2/c1-4-21-17-10-14(7-8-16(17)20-3)11-18-12-15-13(2)6-5-9-19-15/h5-10,18H,4,11-12H2,1-3H3
InChIKeySKEVAPQSWJKXTL-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.09
Rot. Bonds7

About 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 63305644) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID63305644
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCCOc1cc(CNCc2ncccc2C)ccc1OC
InChIInChI=1S/C17H22N2O2/c1-4-21-17-10-14(7-8-16(17)20-3)11-18-12-15-13(2)6-5-9-19-15/h5-10,18H,4,11-12H2,1-3H3
InChIKeySKEVAPQSWJKXTL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
CID 112650689
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 63305644) is 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is CCOc1cc(CNCc2ncccc2C)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is SKEVAPQSWJKXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-17-10-14(7-8-16(17)20-3)11-18-12-15-13(2)6-5-9-19-15/h5-10,18H,4,11-12H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 63305644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).