2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride

C14H21ClN2O2 — CID 120993108

IUPAC2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCc2ccccc2C1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-12-6-4-3-5-11(12)7-8-16(10)14(17)13(15)9-18-2;/h3-6,10,13H,7-9,15H2,1-2H3;1H
InChIKeyQGXQRZPFPKFTBO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride

2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride (PubChem CID 120993108) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
PubChem CID120993108
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCc2ccccc2C1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-12-6-4-3-5-11(12)7-8-16(10)14(17)13(15)9-18-2;/h3-6,10,13H,7-9,15H2,1-2H3;1H
InChIKeyQGXQRZPFPKFTBO-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565
N-(2-methoxyethyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]propanamide
CID 42710571
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
methyl 2-[2-(2-amino-3-methoxypropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 120984783
(3S)-3-amino-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 166251862
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
1-azabicyclo[2.2.2]octan-4-yl 1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 54473596
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]acetamide
CID 42710582
1-(2-amino-3-methoxypropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81102347
(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96549151

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride (CID 120993108) is 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride is COCC(N)C(=O)N1CCc2ccccc2C1C.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
The InChIKey is QGXQRZPFPKFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10-12-6-4-3-5-11(12)7-8-16(10)14(17)13(15)9-18-2;/h3-6,10,13H,7-9,15H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride?
2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120993108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).