N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine

C18H19NO — CID 81035436

IUPACN-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H19NO/c1-2-19-11-10-16-13-20-18-9-8-15(12-17(16)18)14-6-4-3-5-7-14/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyJDDBPAKIPDWOGO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.25
Rot. Bonds5

About N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine

N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine (PubChem CID 81035436) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
PubChem CID81035436
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H19NO/c1-2-19-11-10-16-13-20-18-9-8-15(12-17(16)18)14-6-4-3-5-7-14/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyJDDBPAKIPDWOGO-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81038290
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
3,5-diphenyl-1-benzofuran
CID 66988357
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607
2-[[2-(1-benzofuran-3-yl)ethylamino]methyl]butanenitrile
CID 115254079
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
N-[2-(5,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048608
(6-phenyl-1-benzofuran-3-yl)methanol
CID 22062787
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine (CID 81035436) is N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine is CCNCCc1coc2ccc(-c3ccccc3)cc12.
What is the InChIKey of N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is JDDBPAKIPDWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-19-11-10-16-13-20-18-9-8-15(12-17(16)18)14-6-4-3-5-7-14/h3-9,12-13,19H,2,10-11H2,1H3.
What are the key properties of N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine?
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81035436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).