3,4-dimethoxy-N-methylphenethylamine hydrochloride

C11H18ClNO2 — CID 197910

IUPAC2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
SMILESCNCCC1=CC(=C(C=C1)OC)OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H
InChIKeyBGEONUMCBIQUTQ-UHFFFAOYSA-N
MW231.72 g/mol
LogP—
Rot. Bonds5

About 3,4-dimethoxy-N-methylphenethylamine hydrochloride

3,4-dimethoxy-N-methylphenethylamine hydrochloride (PubChem CID 197910) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name3,4-dimethoxy-N-methylphenethylamine hydrochloride
PubChem CID197910
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
SMILESCNCCC1=CC(=C(C=C1)OC)OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H
InChIKeyBGEONUMCBIQUTQ-UHFFFAOYSA-N
XLogP—
TPSA30.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity152

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methylphenethylamine hydrochloride?
The IUPAC name of 3,4-dimethoxy-N-methylphenethylamine hydrochloride (CID 197910) is 2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 3,4-dimethoxy-N-methylphenethylamine hydrochloride?
The canonical SMILES for 3,4-dimethoxy-N-methylphenethylamine hydrochloride is CNCCC1=CC(=C(C=C1)OC)OC.Cl.
What is the InChIKey of 3,4-dimethoxy-N-methylphenethylamine hydrochloride?
The InChIKey is BGEONUMCBIQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H.
What are the key properties of 3,4-dimethoxy-N-methylphenethylamine hydrochloride?
3,4-dimethoxy-N-methylphenethylamine hydrochloride has a molecular weight of 231.72 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methylphenethylamine hydrochloride is sourced from PubChem (CID 197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).