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

C14H19NO — CID 139461246

IUPAC7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1CC(c2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C14H19NO/c1-16-14-7-12(8-14)11-3-2-10-4-5-15-9-13(10)6-11/h2-3,6,12,14-15H,4-5,7-9H2,1H3
InChIKeyFNXVGGPCDQBKED-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.22
Rot. Bonds2

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

7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 139461246) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID139461246
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOC1CC(c2ccc3c(c2)CNCC3)C1
InChIInChI=1S/C14H19NO/c1-16-14-7-12(8-14)11-3-2-10-4-5-15-9-13(10)6-11/h2-3,6,12,14-15H,4-5,7-9H2,1H3
InChIKeyFNXVGGPCDQBKED-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline (CID 139461246) is 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline is COC1CC(c2ccc3c(c2)CNCC3)C1.
What is the InChIKey of 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FNXVGGPCDQBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-7-12(8-14)11-3-2-10-4-5-15-9-13(10)6-11/h2-3,6,12,14-15H,4-5,7-9H2,1H3.
What are the key properties of 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline?
7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxycyclobutyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 139461246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).