1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone

C18H19NO2 — CID 801549

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-14-6-2-5-9-17(14)21-13-18(20)19-11-10-15-7-3-4-8-16(15)12-19/h2-9H,10-13H2,1H3
InChIKeyNATIBIGDBDUWFJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 801549) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone
PubChem CID801549
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-14-6-2-5-9-17(14)21-13-18(20)19-11-10-15-7-3-4-8-16(15)12-19/h2-9H,10-13H2,1H3
InChIKeyNATIBIGDBDUWFJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone 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

Napropamide
CID 27189
Napropamide-M
CID 13013865
1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 710356
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
1-[(2r)-2-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)piperidin-1-Yl]-2-Phenoxyethanone
CID 71304792
5-(2-(4-benzylpiperidin-1-yl)-2-oxoethoxy)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2151925
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
2-(4-bromophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 744764
Ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
CID 773942
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 798572

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone (CID 801549) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is NATIBIGDBDUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-6-2-5-9-17(14)21-13-18(20)19-11-10-15-7-3-4-8-16(15)12-19/h2-9H,10-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 801549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).