7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline

C14H19NO — CID 115076478

IUPAC7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1OCC1CCC1)CNCC2
InChIInChI=1S/C14H19NO/c1-2-11(3-1)10-16-14-5-4-12-6-7-15-9-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2
InChIKeyZEXCMBCEECGSKE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.51
Rot. Bonds3

About 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline

7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076478) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076478
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1OCC1CCC1)CNCC2
InChIInChI=1S/C14H19NO/c1-2-11(3-1)10-16-14-5-4-12-6-7-15-9-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2
InChIKeyZEXCMBCEECGSKE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
7-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076617
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076430
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 118940221
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339
7-(4-methylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076564

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline (CID 115076478) is 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(cc1OCC1CCC1)CNCC2.
What is the InChIKey of 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZEXCMBCEECGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-11(3-1)10-16-14-5-4-12-6-7-15-9-13(12)8-14/h4-5,8,11,15H,1-3,6-7,9-10H2.
What are the key properties of 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline?
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).