6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline

C10H15NO — CID 66554168

IUPAC6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline
SMILESCOC1=CCC2=C(CCNC2)C1
InChIInChI=1S/C10H15NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h3,11H,2,4-7H2,1H3
InChIKeyZEYFJYGPHZFYQU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.60
Rot. Bonds1

About 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline

6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline (PubChem CID 66554168) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline
PubChem CID66554168
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline
SMILESCOC1=CCC2=C(CCNC2)C1
InChIInChI=1S/C10H15NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h3,11H,2,4-7H2,1H3
InChIKeyZEYFJYGPHZFYQU-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
6,7-Dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
CID 21606234
6-Methoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
CID 21606235
7-Methoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
CID 21606236
(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
CID 76764296
6-methoxy-2,3,4,8-tetrahydro-1H-3-benzazepine
CID 70348175
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
6,7-Dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride
CID 24871286
4-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716250
4-(2-Ethoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716599
4-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717346

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline?
The IUPAC name of 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline (CID 66554168) is 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline?
The canonical SMILES for 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline is COC1=CCC2=C(CCNC2)C1.
What is the InChIKey of 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline?
The InChIKey is ZEYFJYGPHZFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h3,11H,2,4-7H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline?
6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline has a molecular weight of 165.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,5,8-hexahydroisoquinoline is sourced from PubChem (CID 66554168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).