5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C17H25NO — CID 115076115

IUPAC5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(COc2cccc3c2CCNC3)CCCCC1
InChIInChI=1S/C17H25NO/c1-17(9-3-2-4-10-17)13-19-16-7-5-6-14-12-18-11-8-15(14)16/h5-7,18H,2-4,8-13H2,1H3
InChIKeyVLVRYEBKBRTJDB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.68
Rot. Bonds3

About 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076115) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076115
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(COc2cccc3c2CCNC3)CCCCC1
InChIInChI=1S/C17H25NO/c1-17(9-3-2-4-10-17)13-19-16-7-5-6-14-12-18-11-8-15(14)16/h5-7,18H,2-4,8-13H2,1H3
InChIKeyVLVRYEBKBRTJDB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076253
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833
3-(2,3-dihydro-1H-isoindol-4-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115075883
5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076173
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yloxymethyl)thiane 1,1-dioxide
CID 115076812
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
4-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075876
8-[(3-methylthiolan-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076784
5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074421
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076115) is 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC1(COc2cccc3c2CCNC3)CCCCC1.
What is the InChIKey of 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VLVRYEBKBRTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(9-3-2-4-10-17)13-19-16-7-5-6-14-12-18-11-8-15(14)16/h5-7,18H,2-4,8-13H2,1H3.
What are the key properties of 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).