7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

C15H21NO — CID 115076487

IUPAC7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2ccc3c(c2)CNCC3)CCCC1
InChIInChI=1S/C15H21NO/c1-15(7-2-3-8-15)17-14-5-4-12-6-9-16-11-13(12)10-14/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyZSABZRVMVODEQX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds2

About 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076487) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076487
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2ccc3c(c2)CNCC3)CCCC1
InChIInChI=1S/C15H21NO/c1-15(7-2-3-8-15)17-14-5-4-12-6-9-16-11-13(12)10-14/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyZSABZRVMVODEQX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
6-(1,3,3-trimethylcyclohexyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076434
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076401
3-(2,3-dihydro-1H-isoindol-5-yloxy)-3-methylthiolane 1,1-dioxide
CID 115075941
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115076103
6-(3-methyl-1-propan-2-ylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076405
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076487) is 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(Oc2ccc3c(c2)CNCC3)CCCC1.
What is the InChIKey of 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZSABZRVMVODEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(7-2-3-8-15)17-14-5-4-12-6-9-16-11-13(12)10-14/h4-5,10,16H,2-3,6-9,11H2,1H3.
What are the key properties of 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 231.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).