1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one

C14H19NO — CID 84785583

IUPAC1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
SMILESCCN1CCc2cccc(CC(C)=O)c2C1
InChIInChI=1S/C14H19NO/c1-3-15-8-7-12-5-4-6-13(9-11(2)16)14(12)10-15/h4-6H,3,7-10H2,1-2H3
InChIKeyIVMWCUPDAMDMBR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds3

About 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one

1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one (PubChem CID 84785583) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
PubChem CID84785583
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
SMILESCCN1CCc2cccc(CC(C)=O)c2C1
InChIInChI=1S/C14H19NO/c1-3-15-8-7-12-5-4-6-13(9-11(2)16)14(12)10-15/h4-6H,3,7-10H2,1-2H3
InChIKeyIVMWCUPDAMDMBR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279794
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 114524257
3-[8-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-diol
CID 82581564
1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
CID 117202850

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one (CID 84785583) is 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one is CCN1CCc2cccc(CC(C)=O)c2C1.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one?
The InChIKey is IVMWCUPDAMDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15-8-7-12-5-4-6-13(9-11(2)16)14(12)10-15/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one?
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one is sourced from PubChem (CID 84785583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).