5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

C15H21NO — CID 82128708

IUPAC5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCOc1cccc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHSJUASITEWSTMV-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.00
Rot. Bonds1

About 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]

5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (PubChem CID 82128708) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].

Molecular Properties

Compound Name5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
PubChem CID82128708
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
SMILESCOc1cccc2c1C1(CCCCC1)CNC2
InChIInChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHSJUASITEWSTMV-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] with MolForge

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Related Compounds

5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
3-(2,6-dimethoxyphenyl)-3-fluoroazetidine
CID 116811435
7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]
CID 90137329
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-5-carboxylic acid;hydrochloride
CID 134691883
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclopentan-1-amine
CID 82664836
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
9-methoxy-6-methylspiro[3,4-dihydro-2H-1-benzothiepine-5,3'-pyrrolidine]
CID 82624584

Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The IUPAC name of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] (CID 82128708) is 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane].
What is the SMILES notation for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The canonical SMILES for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is COc1cccc2c1C1(CCCCC1)CNC2.
What is the InChIKey of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
The InChIKey is HSJUASITEWSTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-7-5-6-12-10-16-11-15(14(12)13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3.
What are the key properties of 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]?
5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] has a molecular weight of 231.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane] is sourced from PubChem (CID 82128708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).