4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline|N-[4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]-N,N-dimethylamine|4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...

General Information

Structure

Molecular Formula

C₁₉H₂₄N₂O₂

Molecular Mass

312.40606

Exact Mass

312.18377802

Charge

InChI

InChI=1S/C19H24N2O2/c1-21(2)15-7-5-13(6-8-15)19-16-12-18(23-4)17(22-3)11-14(16)9-10-20-19/h5-8,11-12,19-20H,9-10H2,1-4H3

InChIKey

NCRQQAJAESRBPY-UHFFFAOYSA-N

Canonic Smiles

COc1cc2c(cc1OC)CCNC2c1ccc(cc1)N(C)C

Isomeric Smiles

c12C(NCCc2cc(c(c1)OC)OC)c1ccc(N(C)C)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.23604494

LogD (pH = 7.4)

1.9089243

Log P

3.1484246

Molar Refractivity

94.2534

Polarizability

36.02657

Polar Surface Area

33.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-[4-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]-N,N-dimethylamine

IUPAC name

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline

IUPAC Traditional name

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N,N-dimethylaniline

Names and Identifiers

Registration numbers

PubChem CID

3284200

PubChem SID

160991733

MDL Number

MFCD00395547

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Properties

Related Proteins

Molecular Spectra

No Data Available

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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:28426