[(3,4-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine hydrochloride|N-(3,4-dimethoxybenzyl)-2-morpholinoethanamine hydrochloride|[(3,4-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine hyd...

General Information

Structure

Molecular Formula

C₁₅H₂₅ClN₂O₃

Molecular Mass

316.8236

Exact Mass

316.15537035

Charge

InChI

InChI=1S/C15H24N2O3.ClH/c1-18-14-4-3-13(11-15(14)19-2)12-16-5-6-17-7-9-20-10-8-17;/h3-4,11,16H,5-10,12H2,1-2H3;1H

InChIKey

QRPQIXKDNHATLJ-UHFFFAOYSA-N

Canonic Smiles

COc1cc(CNCCN2CCOCC2)ccc1OC.Cl

Isomeric Smiles

c1(c(ccc(c1)CNCCN1CCOCC1)OC)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.1188498

LogD (pH = 7.4)

-0.7111075

Log P

1.0163962

Molar Refractivity

79.326

Polarizability

31.267288

Polar Surface Area

42.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-(3,4-dimethoxybenzyl)-2-morpholinoethanamine hydrochloride

IUPAC Traditional name

[(3,4-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine hydrochloride

IUPAC name

[(3,4-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine hydrochloride

Names and Identifiers

Registration numbers

PubChem SID

162215827

PubChem CID

51051843

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121474