1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

C18H27NO — CID 106779224

IUPAC1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCCC1C1NCCc2ccc(OC)cc21
InChIInChI=1S/C18H27NO/c1-3-13-6-4-5-7-16(13)18-17-12-15(20-2)9-8-14(17)10-11-19-18/h8-9,12-13,16,18-19H,3-7,10-11H2,1-2H3
InChIKeyMCFQOQNMZNWJBC-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106779224) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106779224
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CCCCC1C1NCCc2ccc(OC)cc21
InChIInChI=1S/C18H27NO/c1-3-13-6-4-5-7-16(13)18-17-12-15(20-2)9-8-14(17)10-11-19-18/h8-9,12-13,16,18-19H,3-7,10-11H2,1-2H3
InChIKeyMCFQOQNMZNWJBC-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 107137752
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
(2S,3R,11bS)-3-ethyl-6,9,10-trimethoxy-2-[[(1R)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 21152582
(1-cyclopentyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057908
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
8-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767499
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106779224) is 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline is CCC1CCCCC1C1NCCc2ccc(OC)cc21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MCFQOQNMZNWJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-13-6-4-5-7-16(13)18-17-12-15(20-2)9-8-14(17)10-11-19-18/h8-9,12-13,16,18-19H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).