8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

C15H21NO — CID 115076747

IUPAC8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C15H21NO/c1-11-5-6-13(9-11)17-15-4-2-3-12-7-8-16-10-14(12)15/h2-4,11,13,16H,5-10H2,1H3
InChIKeyVZWANBJEHJBYBO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds2

About 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline

8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076747) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076747
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCC(Oc2cccc3c2CNCC3)C1
InChIInChI=1S/C15H21NO/c1-11-5-6-13(9-11)17-15-4-2-3-12-7-8-16-10-14(12)15/h2-4,11,13,16H,5-10H2,1H3
InChIKeyVZWANBJEHJBYBO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
8-(oxan-4-yloxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076691
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
8-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076665
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
2-bromo-1-methoxy-3-[(1R,3S)-3-methylcyclopentyl]oxybenzene
CID 170070408
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779504
5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076747) is 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1CCC(Oc2cccc3c2CNCC3)C1.
What is the InChIKey of 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VZWANBJEHJBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-6-13(9-11)17-15-4-2-3-12-7-8-16-10-14(12)15/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline?
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 231.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).