5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline

C14H19NO — CID 115076117

IUPAC5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CCNC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(7-3-8-14)16-13-5-2-4-11-10-15-9-6-12(11)13/h2,4-5,15H,3,6-10H2,1H3
InChIKeyBSXWJRKKMPTLEB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds2

About 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline

5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076117) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076117
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(Oc2cccc3c2CCNC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(7-3-8-14)16-13-5-2-4-11-10-15-9-6-12(11)13/h2,4-5,15H,3,6-10H2,1H3
InChIKeyBSXWJRKKMPTLEB-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
5-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076189
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115
8-(1-ethyl-4-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076703
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
8-(3-methyloxolan-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076678
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
8-(1,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076748
3-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yloxymethyl)thiane 1,1-dioxide
CID 115076253
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076117) is 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline is CC1(Oc2cccc3c2CCNC3)CCC1.
What is the InChIKey of 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BSXWJRKKMPTLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(7-3-8-14)16-13-5-2-4-11-10-15-9-6-12(11)13/h2,4-5,15H,3,6-10H2,1H3.
What are the key properties of 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline?
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).