8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C18H27NO — CID 115076763

IUPAC8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCC(COc2cccc3c2CNCC3)C1
InChIInChI=1S/C18H27NO/c1-18(2)9-4-5-14(11-18)13-20-17-7-3-6-15-8-10-19-12-16(15)17/h3,6-7,14,19H,4-5,8-13H2,1-2H3
InChIKeySBBZHZOAZVUSRO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.93
Rot. Bonds3

About 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076763) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076763
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCC(COc2cccc3c2CNCC3)C1
InChIInChI=1S/C18H27NO/c1-18(2)9-4-5-14(11-18)13-20-17-7-3-6-15-8-10-19-12-16(15)17/h3,6-7,14,19H,4-5,8-13H2,1-2H3
InChIKeySBBZHZOAZVUSRO-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline 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 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076763) is 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC1(C)CCCC(COc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SBBZHZOAZVUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)9-4-5-14(11-18)13-20-17-7-3-6-15-8-10-19-12-16(15)17/h3,6-7,14,19H,4-5,8-13H2,1-2H3.
What are the key properties of 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,3-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).