N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine

C20H23NO — CID 57182412

IUPACN,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine
SMILESCCN(CC)C(C)c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C20H23NO/c1-4-21(5-2)15(3)18-13-9-12-17-14-19(22-20(17)18)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3
InChIKeyNGUFRQSHSIZKCK-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.50
Rot. Bonds5

About N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine

N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine (PubChem CID 57182412) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine
PubChem CID57182412
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine
SMILESCCN(CC)C(C)c1cccc2cc(-c3ccccc3)oc12
InChIInChI=1S/C20H23NO/c1-4-21(5-2)15(3)18-13-9-12-17-14-19(22-20(17)18)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3
InChIKeyNGUFRQSHSIZKCK-UHFFFAOYSA-N
XLogP5.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine?
The IUPAC name of N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine (CID 57182412) is N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine is CCN(CC)C(C)c1cccc2cc(-c3ccccc3)oc12.
What is the InChIKey of N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine?
The InChIKey is NGUFRQSHSIZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-21(5-2)15(3)18-13-9-12-17-14-19(22-20(17)18)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine?
N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-phenyl-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 57182412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).