5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline

C17H21NO — CID 143173552

IUPAC5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCCc1cccc2c1CCN(CCc1ccco1)C2
InChIInChI=1S/C17H21NO/c1-2-14-5-3-6-15-13-18(11-9-17(14)15)10-8-16-7-4-12-19-16/h3-7,12H,2,8-11,13H2,1H3
InChIKeySHCVQVPOBVTXES-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.44
Rot. Bonds4

About 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline

5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 143173552) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID143173552
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCCc1cccc2c1CCN(CCc1ccco1)C2
InChIInChI=1S/C17H21NO/c1-2-14-5-3-6-15-13-18(11-9-17(14)15)10-8-16-7-4-12-19-16/h3-7,12H,2,8-11,13H2,1H3
InChIKeySHCVQVPOBVTXES-UHFFFAOYSA-N
XLogP3.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.44
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
2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 63775160
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide;formic acid
CID 154908208
2-butyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559327
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
2-heptyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559333
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
2-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559311

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline (CID 143173552) is 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline is CCc1cccc2c1CCN(CCc1ccco1)C2.
What is the InChIKey of 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is SHCVQVPOBVTXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-14-5-3-6-15-13-18(11-9-17(14)15)10-8-16-7-4-12-19-16/h3-7,12H,2,8-11,13H2,1H3.
What are the key properties of 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 143173552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).