1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C15H23NO — CID 106778678

IUPAC1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCCC(C)CC1NCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO/c1-3-4-11(2)9-15-14-10-13(17)6-5-12(14)7-8-16-15/h5-6,10-11,15-17H,3-4,7-9H2,1-2H3
InChIKeyCUIKZRMDNNAXJE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106778678) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106778678
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCCC(C)CC1NCCc2ccc(O)cc21
InChIInChI=1S/C15H23NO/c1-3-4-11(2)9-15-14-10-13(17)6-5-12(14)7-8-16-15/h5-6,10-11,15-17H,3-4,7-9H2,1-2H3
InChIKeyCUIKZRMDNNAXJE-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106778678) is 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is CCCC(C)CC1NCCc2ccc(O)cc21.
What is the InChIKey of 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is CUIKZRMDNNAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-11(2)9-15-14-10-13(17)6-5-12(14)7-8-16-15/h5-6,10-11,15-17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 233.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).