6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C12H18ClNO2 — CID 160634725

IUPAC6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1ccc2c(c1OC)CCNC2.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-11-5-4-9-8-13-7-6-10(9)12(11)14-2;/h4-5,13H,3,6-8H2,1-2H3;1H
InChIKeyHKTCJNTYPPNDPG-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.16
Rot. Bonds3

About 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 160634725) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID160634725
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCOc1ccc2c(c1OC)CCNC2.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-15-11-5-4-9-8-13-7-6-10(9)12(11)14-2;/h4-5,13H,3,6-8H2,1-2H3;1H
InChIKeyHKTCJNTYPPNDPG-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162309445
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162334890
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 118940185
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84656591
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146585921
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120883647
3-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propoxybenzamide;hydrochloride
CID 120881103
(2S)-5,6-diethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 139759837

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 160634725) is 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CCOc1ccc2c(c1OC)CCNC2.Cl.
What is the InChIKey of 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is HKTCJNTYPPNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-3-15-11-5-4-9-8-13-7-6-10(9)12(11)14-2;/h4-5,13H,3,6-8H2,1-2H3;1H.
What are the key properties of 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 160634725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).