1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one

C14H19NO — CID 20608520

IUPAC1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
SMILESCC(=O)CN1CCc2cc(C)ccc2C1C
InChIInChI=1S/C14H19NO/c1-10-4-5-14-12(3)15(9-11(2)16)7-6-13(14)8-10/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyQNCXTJUKKLCALS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.50
Rot. Bonds2

About 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one

1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one (PubChem CID 20608520) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
PubChem CID20608520
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
SMILESCC(=O)CN1CCc2cc(C)ccc2C1C
InChIInChI=1S/C14H19NO/c1-10-4-5-14-12(3)15(9-11(2)16)7-6-13(14)8-10/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyQNCXTJUKKLCALS-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one?
The IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one (CID 20608520) is 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one?
The canonical SMILES for 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one is CC(=O)CN1CCc2cc(C)ccc2C1C.
What is the InChIKey of 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one?
The InChIKey is QNCXTJUKKLCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-4-5-14-12(3)15(9-11(2)16)7-6-13(14)8-10/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one?
1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one is sourced from PubChem (CID 20608520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).