5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

C19H23N — CID 118428911

IUPAC5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Cc1ccccc1-c1cccc2c1CCNC2
InChIInChI=1S/C19H23N/c1-14(2)12-15-6-3-4-8-17(15)19-9-5-7-16-13-20-11-10-18(16)19/h3-9,14,20H,10-13H2,1-2H3
InChIKeyIVVKFUROZAXSBU-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.20
Rot. Bonds3

About 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 118428911) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID118428911
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Cc1ccccc1-c1cccc2c1CCNC2
InChIInChI=1S/C19H23N/c1-14(2)12-15-6-3-4-8-17(15)19-9-5-7-16-13-20-11-10-18(16)19/h3-9,14,20H,10-13H2,1-2H3
InChIKeyIVVKFUROZAXSBU-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline (CID 118428911) is 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline is CC(C)Cc1ccccc1-c1cccc2c1CCNC2.
What is the InChIKey of 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IVVKFUROZAXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14(2)12-15-6-3-4-8-17(15)19-9-5-7-16-13-20-11-10-18(16)19/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline?
5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 118428911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).