4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

C18H19NO — CID 104544097

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)NCCC2Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c1-2-4-17-16(3-1)14(7-9-19-17)11-13-5-6-18-15(12-13)8-10-20-18/h1-6,12,14,19H,7-11H2
InChIKeyAYRJBCAGPVGEDV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.76
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 104544097) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID104544097
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)NCCC2Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c1-2-4-17-16(3-1)14(7-9-19-17)11-13-5-6-18-15(12-13)8-10-20-18/h1-6,12,14,19H,7-11H2
InChIKeyAYRJBCAGPVGEDV-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355
4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63866885
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
N-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)oxolan-3-amine
CID 82739453
4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63868794
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 104544097) is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)NCCC2Cc1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is AYRJBCAGPVGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-4-17-16(3-1)14(7-9-19-17)11-13-5-6-18-15(12-13)8-10-20-18/h1-6,12,14,19H,7-11H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104544097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).