1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline

C13H17N — CID 164524264

IUPAC1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline
SMILESCC(C)c1ccc2c(c1)C=CNC2C
InChIInChI=1S/C13H17N/c1-9(2)11-4-5-13-10(3)14-7-6-12(13)8-11/h4-10,14H,1-3H3
InChIKeyOKVKAEGNKYJTAC-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.44
Rot. Bonds1

About 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline

1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline (PubChem CID 164524264) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline
PubChem CID164524264
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline
SMILESCC(C)c1ccc2c(c1)C=CNC2C
InChIInChI=1S/C13H17N/c1-9(2)11-4-5-13-10(3)14-7-6-12(13)8-11/h4-10,14H,1-3H3
InChIKeyOKVKAEGNKYJTAC-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline?
The IUPAC name of 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline (CID 164524264) is 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline.
What is the SMILES notation for 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline?
The canonical SMILES for 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline is CC(C)c1ccc2c(c1)C=CNC2C.
What is the InChIKey of 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline?
The InChIKey is OKVKAEGNKYJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)11-4-5-13-10(3)14-7-6-12(13)8-11/h4-10,14H,1-3H3.
What are the key properties of 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline?
1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-1,2-dihydroisoquinoline is sourced from PubChem (CID 164524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).