2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

C18H19NO — CID 116549786

IUPAC2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2Cc3ccccc3CN2)cc1
InChIInChI=1S/C18H19NO/c1-13-6-8-14(9-7-13)10-18(20)17-11-15-4-2-3-5-16(15)12-19-17/h2-9,17,19H,10-12H2,1H3
InChIKeyAGSCZZKMNLJIQX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (PubChem CID 116549786) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
PubChem CID116549786
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2Cc3ccccc3CN2)cc1
InChIInChI=1S/C18H19NO/c1-13-6-8-14(9-7-13)10-18(20)17-11-15-4-2-3-5-16(15)12-19-17/h2-9,17,19H,10-12H2,1H3
InChIKeyAGSCZZKMNLJIQX-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549674
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141
(3S)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44663666
(3S)-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7598685
2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 114350345
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661
(3R)-N-[(2S,3S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124894714
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-en-1-one
CID 116549670
methyl 2-[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]phenyl]acetate
CID 58622398
2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549873
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (CID 116549786) is 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is Cc1ccc(CC(=O)C2Cc3ccccc3CN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The InChIKey is AGSCZZKMNLJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-6-8-14(9-7-13)10-18(20)17-11-15-4-2-3-5-16(15)12-19-17/h2-9,17,19H,10-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is sourced from PubChem (CID 116549786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).