2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine

C17H22N2O2 — CID 782414

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(C)Cc2ccncc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-19(13-15-6-9-18-10-7-15)11-8-14-4-5-16(20-2)17(12-14)21-3/h4-7,9-10,12H,8,11,13H2,1-3H3
InChIKeyDLJDBOHKUOFCDL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 782414) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID782414
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(C)Cc2ccncc2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-19(13-15-6-9-18-10-7-15)11-8-14-4-5-16(20-2)17(12-14)21-3/h4-7,9-10,12H,8,11,13H2,1-3H3
InChIKeyDLJDBOHKUOFCDL-UHFFFAOYSA-N
XLogP2.77
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine (CID 782414) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine is COc1ccc(CCN(C)Cc2ccncc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is DLJDBOHKUOFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(13-15-6-9-18-10-7-15)11-8-14-4-5-16(20-2)17(12-14)21-3/h4-7,9-10,12H,8,11,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 782414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).