1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

C17H22N2O2 — CID 80711317

IUPAC1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C)cn2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(19-10-12)11-18-13(2)14-6-8-16(20-3)17(9-14)21-4/h5-10,13,18H,11H2,1-4H3
InChIKeyRUAXMEFYVPSULN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 80711317) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID80711317
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C)cn2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(19-10-12)11-18-13(2)14-6-8-16(20-3)17(9-14)21-4/h5-10,13,18H,11H2,1-4H3
InChIKeyRUAXMEFYVPSULN-UHFFFAOYSA-N
XLogP3.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
5-[1-[(5-methyl-2-pyridinyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 80711965
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(3,4-dimethoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014465
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102834807
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707
(E)-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-en-1-amine
CID 113350601

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (CID 80711317) is 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is COc1ccc(C(C)NCc2ccc(C)cn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is RUAXMEFYVPSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-15(19-10-12)11-18-13(2)14-6-8-16(20-3)17(9-14)21-4/h5-10,13,18H,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80711317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).