6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol

C14H19NO2 — CID 118940221

IUPAC6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESOC1CNCc2ccc(OCC3CCC3)cc21
InChIInChI=1S/C14H19NO2/c16-14-8-15-7-11-4-5-12(6-13(11)14)17-9-10-2-1-3-10/h4-6,10,14-16H,1-3,7-9H2
InChIKeyDNXXQABBVYZDEZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds3

About 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol

6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 118940221) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID118940221
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESOC1CNCc2ccc(OCC3CCC3)cc21
InChIInChI=1S/C14H19NO2/c16-14-8-15-7-11-4-5-12(6-13(11)14)17-9-10-2-1-3-10/h4-6,10,14-16H,1-3,7-9H2
InChIKeyDNXXQABBVYZDEZ-UHFFFAOYSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 122444720
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
6-ethyl-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 82048510
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
2-amino-1-(3-phenylmethoxyphenyl)ethanol;6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 158159373
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
4-(cyclobutylmethoxy)benzenethiol
CID 97179596

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 118940221) is 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol is OC1CNCc2ccc(OCC3CCC3)cc21.
What is the InChIKey of 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is DNXXQABBVYZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14-8-15-7-11-4-5-12(6-13(11)14)17-9-10-2-1-3-10/h4-6,10,14-16H,1-3,7-9H2.
What are the key properties of 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol?
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 233.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 118940221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).