N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride

C12H20ClNO3 — CID 12626560

IUPACN-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCNCCc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;/h7-8,13H,5-6H2,1-4H3;1H
InChIKeyQHBQZCHOXCFQGY-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride

N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride (PubChem CID 12626560) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
PubChem CID12626560
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC NameN-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
SMILESCNCCc1cc(OC)c(OC)c(OC)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;/h7-8,13H,5-6H2,1-4H3;1H
InChIKeyQHBQZCHOXCFQGY-UHFFFAOYSA-N
XLogP1.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride (CID 12626560) is N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride is CNCCc1cc(OC)c(OC)c(OC)c1.Cl.
What is the InChIKey of N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is QHBQZCHOXCFQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;/h7-8,13H,5-6H2,1-4H3;1H.
What are the key properties of N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride?
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 12626560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).