2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one

C14H20N2O — CID 83626790

IUPAC2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
SMILESCC(N)C(=O)N1Cc2ccccc2C(C)(C)C1
InChIInChI=1S/C14H20N2O/c1-10(15)13(17)16-8-11-6-4-5-7-12(11)14(2,3)9-16/h4-7,10H,8-9,15H2,1-3H3
InChIKeyJYJSYFWYIPYJQL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.65
Rot. Bonds1

About 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one

2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one (PubChem CID 83626790) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
PubChem CID83626790
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
SMILESCC(N)C(=O)N1Cc2ccccc2C(C)(C)C1
InChIInChI=1S/C14H20N2O/c1-10(15)13(17)16-8-11-6-4-5-7-12(11)14(2,3)9-16/h4-7,10H,8-9,15H2,1-3H3
InChIKeyJYJSYFWYIPYJQL-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one (CID 83626790) is 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one is CC(N)C(=O)N1Cc2ccccc2C(C)(C)C1.
What is the InChIKey of 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one?
The InChIKey is JYJSYFWYIPYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15)13(17)16-8-11-6-4-5-7-12(11)14(2,3)9-16/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one?
2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one is sourced from PubChem (CID 83626790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).