4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C18H17NO — CID 68993987

IUPAC4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
InChIKeyHXJTYROTEDEIBT-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.01
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68993987) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68993987
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
InChIKeyHXJTYROTEDEIBT-UHFFFAOYSA-N
XLogP4.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 9928332
(2-Benzofuran-6-yl-ethyl)-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 44313303
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
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
N-(Benzofuran-2-ylmethyl)-N''-(4''-ethoxybenzyl)piperazine
CID 46914771
(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-azabicyclo[2.2.2]oct-2-ene
CID 9859365
4-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile
CID 10291205
3-Benzofuran-2-yl-1-aza-bicyclo[2.2.2]octane
CID 10398843
1,3,4,5,6,11b-Hexahydro-2H-11-oxa-4a-aza-benzo[a]fluorene
CID 14004040

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68993987) is 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2cc3ccccc3o2)C1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HXJTYROTEDEIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.34 g/mol, XLogP of 4.01, 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)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68993987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).