6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline

C18H27NO — CID 115076434

IUPAC6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C18H27NO/c1-17(2)8-4-9-18(3,13-17)20-16-6-5-15-12-19-10-7-14(15)11-16/h5-6,11,19H,4,7-10,12-13H2,1-3H3
InChIKeyGINUSBDJOYXGMI-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.07
Rot. Bonds2

About 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline

6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076434) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076434
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCC(C)(Oc2ccc3c(c2)CCNC3)C1
InChIInChI=1S/C18H27NO/c1-17(2)8-4-9-18(3,13-17)20-16-6-5-15-12-19-10-7-14(15)11-16/h5-6,11,19H,4,7-10,12-13H2,1-3H3
InChIKeyGINUSBDJOYXGMI-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076401
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076405
5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115076103
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
3-(2,3-dihydro-1H-isoindol-5-yloxy)-3-methylthiolane 1,1-dioxide
CID 115075941
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075947

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076434) is 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(C)CCCC(C)(Oc2ccc3c(c2)CCNC3)C1.
What is the InChIKey of 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GINUSBDJOYXGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)8-4-9-18(3,13-17)20-16-6-5-15-12-19-10-7-14(15)11-16/h5-6,11,19H,4,7-10,12-13H2,1-3H3.
What are the key properties of 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline?
6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).