8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane

C18H29NO — CID 153401770

IUPAC8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane
SMILESCC.CC1CC(C)C(Cc2cccc3c2CNCC3)O1
InChIInChI=1S/C16H23NO.C2H6/c1-11-8-12(2)18-16(11)9-14-5-3-4-13-6-7-17-10-15(13)14;1-2/h3-5,11-12,16-17H,6-10H2,1-2H3;1-2H3
InChIKeyWIODKUGLTVBVKD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds2

About 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane

8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane (PubChem CID 153401770) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane.

Molecular Properties

Compound Name8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane
PubChem CID153401770
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane
SMILESCC.CC1CC(C)C(Cc2cccc3c2CNCC3)O1
InChIInChI=1S/C16H23NO.C2H6/c1-11-8-12(2)18-16(11)9-14-5-3-4-13-6-7-17-10-15(13)14;1-2/h3-5,11-12,16-17H,6-10H2,1-2H3;1-2H3
InChIKeyWIODKUGLTVBVKD-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane with MolForge

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Related Compounds

8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779504
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781538
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104127
N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
CID 104557435

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane?
The IUPAC name of 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane (CID 153401770) is 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane.
What is the SMILES notation for 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane?
The canonical SMILES for 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane is CC.CC1CC(C)C(Cc2cccc3c2CNCC3)O1.
What is the InChIKey of 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane?
The InChIKey is WIODKUGLTVBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C2H6/c1-11-8-12(2)18-16(11)9-14-5-3-4-13-6-7-17-10-15(13)14;1-2/h3-5,11-12,16-17H,6-10H2,1-2H3;1-2H3.
What are the key properties of 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane?
8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane has a molecular weight of 275.44 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline;ethane is sourced from PubChem (CID 153401770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).