3-propan-2-yl-1,2-dihydroisoquinoline

C12H15N — CID 134868995

IUPAC3-propan-2-yl-1,2-dihydroisoquinoline
SMILESCC(C)C1=Cc2ccccc2CN1
InChIInChI=1S/C12H15N/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-7,9,13H,8H2,1-2H3
InChIKeyAOOPSLKFPFRYGU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.79
Rot. Bonds1

About 3-propan-2-yl-1,2-dihydroisoquinoline

3-propan-2-yl-1,2-dihydroisoquinoline (PubChem CID 134868995) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name3-propan-2-yl-1,2-dihydroisoquinoline
PubChem CID134868995
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-propan-2-yl-1,2-dihydroisoquinoline
SMILESCC(C)C1=Cc2ccccc2CN1
InChIInChI=1S/C12H15N/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-7,9,13H,8H2,1-2H3
InChIKeyAOOPSLKFPFRYGU-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-dihydroisoquinoline?
The IUPAC name of 3-propan-2-yl-1,2-dihydroisoquinoline (CID 134868995) is 3-propan-2-yl-1,2-dihydroisoquinoline.
What is the SMILES notation for 3-propan-2-yl-1,2-dihydroisoquinoline?
The canonical SMILES for 3-propan-2-yl-1,2-dihydroisoquinoline is CC(C)C1=Cc2ccccc2CN1.
What is the InChIKey of 3-propan-2-yl-1,2-dihydroisoquinoline?
The InChIKey is AOOPSLKFPFRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-dihydroisoquinoline?
3-propan-2-yl-1,2-dihydroisoquinoline has a molecular weight of 173.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-dihydroisoquinoline is sourced from PubChem (CID 134868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).