1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

C22H30N2O3 — CID 4274829

IUPAC1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCCN(CC)CCOc1ccc(C2NCCc3cc(O)ccc32)cc1OC
InChIInChI=1S/C22H30N2O3/c1-4-24(5-2)12-13-27-20-9-6-17(15-21(20)26-3)22-19-8-7-18(25)14-16(19)10-11-23-22/h6-9,14-15,22-23,25H,4-5,10-13H2,1-3H3
InChIKeyBOLKLWGQHYHHGA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.36
Rot. Bonds8

About 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 4274829) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID4274829
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCCN(CC)CCOc1ccc(C2NCCc3cc(O)ccc32)cc1OC
InChIInChI=1S/C22H30N2O3/c1-4-24(5-2)12-13-27-20-9-6-17(15-21(20)26-3)22-19-8-7-18(25)14-16(19)10-11-23-22/h6-9,14-15,22-23,25H,4-5,10-13H2,1-3H3
InChIKeyBOLKLWGQHYHHGA-UHFFFAOYSA-N
XLogP3.36
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[[1-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethanamine
CID 3954155
2-[[1-(3,4-dibromophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethylethanamine
CID 5178473
N,N-diethyl-2-[(6-methoxy-1-naphthalen-2-yl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]ethanamine
CID 5043024
2-[[1-(2,6-dimethylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-diethylethanamine
CID 4656315
N,N-diethyl-2-[[6-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethanamine
CID 5150564
2-[4-(2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methoxyphenoxy]-N,N-dimethylethanamine
CID 3943467
N,N-diethyl-2-[[1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 3382143
2-[[1-(5-chloro-2-methoxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-diethylethanamine
CID 3877498
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 5021731
2-[[1-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-diethylethanamine
CID 4319798
N,N-diethyl-2-[[6-methoxy-1-(2-methoxy-4,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethanamine
CID 4204427

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 4274829) is 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is CCN(CC)CCOc1ccc(C2NCCc3cc(O)ccc32)cc1OC.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is BOLKLWGQHYHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-24(5-2)12-13-27-20-9-6-17(15-21(20)26-3)22-19-8-7-18(25)14-16(19)10-11-23-22/h6-9,14-15,22-23,25H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 370.49 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 4274829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).