1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C14H21NO2 — CID 106781284

IUPAC1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOCCC(C)C1NCCc2ccc(O)cc21
InChIInChI=1S/C14H21NO2/c1-10(6-8-17-2)14-13-9-12(16)4-3-11(13)5-7-15-14/h3-4,9-10,14-16H,5-8H2,1-2H3
InChIKeyXVLNFEAVOHAYOC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106781284) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106781284
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCOCCC(C)C1NCCc2ccc(O)cc21
InChIInChI=1S/C14H21NO2/c1-10(6-8-17-2)14-13-9-12(16)4-3-11(13)5-7-15-14/h3-4,9-10,14-16H,5-8H2,1-2H3
InChIKeyXVLNFEAVOHAYOC-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106781284) is 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol is COCCC(C)C1NCCc2ccc(O)cc21.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is XVLNFEAVOHAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(6-8-17-2)14-13-9-12(16)4-3-11(13)5-7-15-14/h3-4,9-10,14-16H,5-8H2,1-2H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 235.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106781284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).