3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol

C15H23NO2 — CID 106676147

IUPAC3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)C1NCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-15(2,18-3)10-13(17)14-12-7-5-4-6-11(12)8-9-16-14/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyDMJFHXZUUYDSMH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.05
Rot. Bonds4

About 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol

3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol (PubChem CID 106676147) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
PubChem CID106676147
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)C1NCCc2ccccc21
InChIInChI=1S/C15H23NO2/c1-15(2,18-3)10-13(17)14-12-7-5-4-6-11(12)8-9-16-14/h4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyDMJFHXZUUYDSMH-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol (CID 106676147) is 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol is COC(C)(C)CC(O)C1NCCc2ccccc21.
What is the InChIKey of 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol?
The InChIKey is DMJFHXZUUYDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,18-3)10-13(17)14-12-7-5-4-6-11(12)8-9-16-14/h4-7,13-14,16-17H,8-10H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol?
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol is sourced from PubChem (CID 106676147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).