1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C18H19Cl2NO2 — CID 3450149

IUPAC1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-23-17-10-13-11(8-16(17)22-2)6-7-21-18(13)14-9-12(19)4-5-15(14)20/h4-5,8-10,18,21H,3,6-7H2,1-2H3
InChIKeyUTYHEZNKJPOPDB-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.64
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline

1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3450149) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3450149
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-23-17-10-13-11(8-16(17)22-2)6-7-21-18(13)14-9-12(19)4-5-15(14)20/h4-5,8-10,18,21H,3,6-7H2,1-2H3
InChIKeyUTYHEZNKJPOPDB-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
CID 5195515
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
6,7-diethoxy-1-(4-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4662563
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855
6,7-diethoxy-1-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4530162
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
4-[(1S)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-dimethylaniline
CID 728889

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 3450149) is 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline is CCOc1cc2c(cc1OC)CCNC2c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UTYHEZNKJPOPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-23-17-10-13-11(8-16(17)22-2)6-7-21-18(13)14-9-12(19)4-5-15(14)20/h4-5,8-10,18,21H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 352.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3450149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).