ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline

C17H33NO — CID 145416816

IUPACethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.CC.COc1ccc(C)c2c1CCNC2
InChIInChI=1S/C11H15NO.3C2H6/c1-8-3-4-11(13-2)9-5-6-12-7-10(8)9;3*1-2/h3-4,12H,5-7H2,1-2H3;3*1-2H3
InChIKeyAUYQGKRISKUMNM-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.73
Rot. Bonds1

About ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline

ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 145416816) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID145416816
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Nameethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.CC.COc1ccc(C)c2c1CCNC2
InChIInChI=1S/C11H15NO.3C2H6/c1-8-3-4-11(13-2)9-5-6-12-7-10(8)9;3*1-2/h3-4,12H,5-7H2,1-2H3;3*1-2H3
InChIKeyAUYQGKRISKUMNM-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
5-methoxy-8-(1-methylpyridin-1-ium-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 69448462
N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582832
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583004
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 84716986
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline (CID 145416816) is ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline is CC.CC.CC.COc1ccc(C)c2c1CCNC2.
What is the InChIKey of ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AUYQGKRISKUMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.3C2H6/c1-8-3-4-11(13-2)9-5-6-12-7-10(8)9;3*1-2/h3-4,12H,5-7H2,1-2H3;3*1-2H3.
What are the key properties of ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.46 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 145416816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).