4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline

C18H16FNO — CID 68996651

IUPAC4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCN1Cc2ccccc2C(F)(c2cc3ccccc3o2)C1
InChIInChI=1S/C18H16FNO/c1-20-11-14-7-2-4-8-15(14)18(19,12-20)17-10-13-6-3-5-9-16(13)21-17/h2-10H,11-12H2,1H3
InChIKeyWMAMSADUXSMFFK-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.09
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline

4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline (PubChem CID 68996651) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline
PubChem CID68996651
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCN1Cc2ccccc2C(F)(c2cc3ccccc3o2)C1
InChIInChI=1S/C18H16FNO/c1-20-11-14-7-2-4-8-15(14)18(19,12-20)17-10-13-6-3-5-9-16(13)21-17/h2-10H,11-12H2,1H3
InChIKeyWMAMSADUXSMFFK-UHFFFAOYSA-N
XLogP4.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Racemic 4-(benzo[b]furan-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68993987
1-(1-Benzofuran-2-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 44189150
1-{2-[4-(6-Fluoro-benzofuran-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461298
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
(E)-N-(1-benzofuran-7-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127051177
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-en-1-amine;hydrochloride
CID 137643139
N-((Benzofuran-2-yl)methyl)-N''-benzylpiperazine
CID 5009938
3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane
CID 10398843
4-(1-benzofuran-7-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68993720
4-(1-benzofuran-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994365
4-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995928
4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996260

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline (CID 68996651) is 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline is CN1Cc2ccccc2C(F)(c2cc3ccccc3o2)C1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline?
The InChIKey is WMAMSADUXSMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-20-11-14-7-2-4-8-15(14)18(19,12-20)17-10-13-6-3-5-9-16(13)21-17/h2-10H,11-12H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline?
4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline has a molecular weight of 281.33 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-4-fluoro-2-methyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 68996651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).