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

C15H22N2O2 — CID 86814768

IUPAC2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
SMILESCCCOc1ccc2c(c1)CCN(C(=O)C(C)N)C2
InChIInChI=1S/C15H22N2O2/c1-3-8-19-14-5-4-13-10-17(15(18)11(2)16)7-6-12(13)9-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3
InChIKeyHOKWCKXFOLNKIM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds4

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

2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one (PubChem CID 86814768) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
PubChem CID86814768
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
SMILESCCCOc1ccc2c(c1)CCN(C(=O)C(C)N)C2
InChIInChI=1S/C15H22N2O2/c1-3-8-19-14-5-4-13-10-17(15(18)11(2)16)7-6-12(13)9-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3
InChIKeyHOKWCKXFOLNKIM-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one (CID 86814768) is 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one is CCCOc1ccc2c(c1)CCN(C(=O)C(C)N)C2.
What is the InChIKey of 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
The InChIKey is HOKWCKXFOLNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-8-19-14-5-4-13-10-17(15(18)11(2)16)7-6-12(13)9-14/h4-5,9,11H,3,6-8,10,16H2,1-2H3.
What are the key properties of 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one?
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one is sourced from PubChem (CID 86814768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).