N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline

C18H19NO — CID 43102235

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
SMILESCCc1ccccc1NC(C)c1cc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-3-14-8-4-6-10-16(14)19-13(2)18-12-15-9-5-7-11-17(15)20-18/h4-13,19H,3H2,1-2H3
InChIKeyIUBTZCVBJSFHPF-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.17
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline

N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline (PubChem CID 43102235) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
PubChem CID43102235
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
SMILESCCc1ccccc1NC(C)c1cc2ccccc2o1
InChIInChI=1S/C18H19NO/c1-3-14-8-4-6-10-16(14)19-13(2)18-12-15-9-5-7-11-17(15)20-18/h4-13,19H,3H2,1-2H3
InChIKeyIUBTZCVBJSFHPF-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112798745
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline (CID 43102235) is N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline is CCc1ccccc1NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline?
The InChIKey is IUBTZCVBJSFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-14-8-4-6-10-16(14)19-13(2)18-12-15-9-5-7-11-17(15)20-18/h4-13,19H,3H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline has a molecular weight of 265.36 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline is sourced from PubChem (CID 43102235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).