6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride

C19H22ClNO2 — CID 54599714

IUPAC6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCc1ccccc1)C(C)=NCC2.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-3-21-18-11-16-9-10-20-14(2)17(16)12-19(18)22-13-15-7-5-4-6-8-15;/h4-8,11-12H,3,9-10,13H2,1-2H3;1H
InChIKeyBDHWNKIDGLVPGE-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.45
Rot. Bonds5

About 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride

6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 54599714) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
PubChem CID54599714
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCCOc1cc2c(cc1OCc1ccccc1)C(C)=NCC2.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-3-21-18-11-16-9-10-20-14(2)17(16)12-19(18)22-13-15-7-5-4-6-8-15;/h4-8,11-12H,3,9-10,13H2,1-2H3;1H
InChIKeyBDHWNKIDGLVPGE-UHFFFAOYSA-N
XLogP4.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 118966802
6-butoxy-7-methoxy-1-methyl-3,4-dihydroisoquinoline;hydrochloride
CID 54604976
6-ethoxy-1-methyl-3,4-dihydroisoquinoline
CID 3029059
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenylsulfanylacetonitrile
CID 15587186
1-[(3,4-dipropoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 3052868
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
7-ethoxy-4-methyl-6-phenylmethoxyquinoline
CID 146508381
(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
CID 11025506
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride (CID 54599714) is 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride is CCOc1cc2c(cc1OCc1ccccc1)C(C)=NCC2.Cl.
What is the InChIKey of 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is BDHWNKIDGLVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c1-3-21-18-11-16-9-10-20-14(2)17(16)12-19(18)22-13-15-7-5-4-6-8-15;/h4-8,11-12H,3,9-10,13H2,1-2H3;1H.
What are the key properties of 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride?
6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 54599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).