1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine

C18H21NO — CID 114746560

IUPAC1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H21NO/c1-3-19-13(2)14-7-9-15(10-8-14)17-6-4-5-16-11-12-20-18(16)17/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyGHWKJGGACRUERA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine

1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine (PubChem CID 114746560) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine
PubChem CID114746560
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H21NO/c1-3-19-13(2)14-7-9-15(10-8-14)17-6-4-5-16-11-12-20-18(16)17/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyGHWKJGGACRUERA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
1-[2-chloro-4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-methylethanamine
CID 114746573
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
CID 114746535
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933
N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
CID 114746531
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine (CID 114746560) is 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cccc3c2OCC3)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine?
The InChIKey is GHWKJGGACRUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19-13(2)14-7-9-15(10-8-14)17-6-4-5-16-11-12-20-18(16)17/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine?
1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 114746560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).