2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride

C21H30ClNO4 — CID 6917841

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride
SMILESCOc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl
InChIInChI=1S/C21H29NO4.ClH/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5;/h6-9,14-15H,10-13H2,1-5H3;1H
InChIKeyGYBONEHHSUABAO-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.86
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride

2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride (PubChem CID 6917841) has the molecular formula C21H30ClNO4 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride
PubChem CID6917841
Molecular FormulaC21H30ClNO4
Molecular Weight395.93 g/mol
Exact Mass395.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride
SMILESCOc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl
InChIInChI=1S/C21H29NO4.ClH/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5;/h6-9,14-15H,10-13H2,1-5H3;1H
InChIKeyGYBONEHHSUABAO-UHFFFAOYSA-N
XLogP3.86
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride (CID 6917841) is 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride is COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride?
The InChIKey is GYBONEHHSUABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4.ClH/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5;/h6-9,14-15H,10-13H2,1-5H3;1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride?
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 6917841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).