ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline

C12H19NO — CID 143868283

IUPACethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC.COc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H13NO.C2H6/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;1-2/h2-3,6,11H,4-5,7H2,1H3;1-2H3
InChIKeyWAGZVNGRKBHHRL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds1

About ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline

ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 143868283) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID143868283
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC.COc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H13NO.C2H6/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;1-2/h2-3,6,11H,4-5,7H2,1H3;1-2H3
InChIKeyWAGZVNGRKBHHRL-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline
CID 134564811
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076564
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
N-(2-cyclohexylethyl)formamide;7-methoxy-1,2,3,4-tetrahydroisoquinoline;propane
CID 142306577
ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416037
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609283
5-iodo-8-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 67206648

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 143868283) is ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline is CC.COc1ccc2c(c1)CNCC2.
What is the InChIKey of ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WAGZVNGRKBHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;1-2/h2-3,6,11H,4-5,7H2,1H3;1-2H3.
What are the key properties of ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline?
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 193.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 143868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).