7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C18H27NO — CID 115076573

IUPAC7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C)(COc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C18H27NO/c1-14-5-8-18(2,9-6-14)13-20-17-4-3-15-7-10-19-12-16(15)11-17/h3-4,11,14,19H,5-10,12-13H2,1-2H3
InChIKeyQQBNSVQKERVHKG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.93
Rot. Bonds3

About 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076573) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076573
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(C)(COc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C18H27NO/c1-14-5-8-18(2,9-6-14)13-20-17-4-3-15-7-10-19-12-16(15)11-17/h3-4,11,14,19H,5-10,12-13H2,1-2H3
InChIKeyQQBNSVQKERVHKG-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 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076564
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485

Frequently Asked Questions

What is the IUPAC name of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076573) is 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC1CCC(C)(COc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QQBNSVQKERVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-5-8-18(2,9-6-14)13-20-17-4-3-15-7-10-19-12-16(15)11-17/h3-4,11,14,19H,5-10,12-13H2,1-2H3.
What are the key properties of 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
7-[(1,4-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 7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).