7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline

C16H23NO — CID 115076564

IUPAC7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(Oc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C16H23NO/c1-12-2-5-15(6-3-12)18-16-7-4-13-8-9-17-11-14(13)10-16/h4,7,10,12,15,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyQHGQFZZCZBLJHL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds2

About 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline

7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076564) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076564
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(Oc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C16H23NO/c1-12-2-5-15(6-3-12)18-16-7-4-13-8-9-17-11-14(13)10-16/h4,7,10,12,15,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyQHGQFZZCZBLJHL-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
4-(3,4-dihydro-1H-isochromen-7-yloxy)piperidine
CID 129278195
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076564) is 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1CCC(Oc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QHGQFZZCZBLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-2-5-15(6-3-12)18-16-7-4-13-8-9-17-11-14(13)10-16/h4,7,10,12,15,17H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).