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

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

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

Launch Full Analysis

Related Compounds

2-amino-3-methoxy-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
CID 120993189
N-methyl-6-(3-methylpentoxy)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170121464
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propoxybenzenesulfonamide
CID 16943958
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
2-[(2R)-2-aminopropanoyl]-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70749130
2-[[ethylamino-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110048543
N,N-dimethyl-2-[[(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110048544
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133394689
2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394749
1-[6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one;propane
CID 143447281
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 43649394
N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
CID 75431193

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).