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

C19H21NO — CID 116561998

IUPAC2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESCCc1ccc(CC(=O)C2NCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-18(21)19-17-6-4-3-5-16(17)11-12-20-19/h3-10,19-20H,2,11-13H2,1H3
InChIKeyCWJFZWBYIUNLEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.25
Rot. Bonds4

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

2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (PubChem CID 116561998) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
PubChem CID116561998
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESCCc1ccc(CC(=O)C2NCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-18(21)19-17-6-4-3-5-16(17)11-12-20-19/h3-10,19-20H,2,11-13H2,1H3
InChIKeyCWJFZWBYIUNLEJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

amino-oxo-[4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]phenyl]azanium
CID 173305762
2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561963
2-(3-bromo-5-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561991
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-ethylphenyl)ethanone
CID 105081743
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
CID 90758928
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
3-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
CID 116562104
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 104617918
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (CID 116561998) is 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is CCc1ccc(CC(=O)C2NCCc3ccccc32)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The InChIKey is CWJFZWBYIUNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-14-7-9-15(10-8-14)13-18(21)19-17-6-4-3-5-16(17)11-12-20-19/h3-10,19-20H,2,11-13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is sourced from PubChem (CID 116561998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).