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

C18H19NO2 — CID 81041074

IUPACN-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-2-19-11-10-14-13-20-18-9-8-16(12-17(14)18)21-15-6-4-3-5-7-15/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyFOHTYCFOLZSULG-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.38
Rot. Bonds6

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

N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine (PubChem CID 81041074) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
PubChem CID81041074
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
SMILESCCNCCc1coc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-2-19-11-10-14-13-20-18-9-8-16(12-17(14)18)21-15-6-4-3-5-7-15/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyFOHTYCFOLZSULG-UHFFFAOYSA-N
XLogP4.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81048996
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81038290
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
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
3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 14152802
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
2-[[2-(1-benzofuran-3-yl)ethylamino]methyl]butanenitrile
CID 115254079
2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81048471

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine (CID 81041074) is N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine is CCNCCc1coc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The InChIKey is FOHTYCFOLZSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-19-11-10-14-13-20-18-9-8-16(12-17(14)18)21-15-6-4-3-5-7-15/h3-9,12-13,19H,2,10-11H2,1H3.
What are the key properties of N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81041074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).