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

C17H17NO2 — CID 81048996

IUPACN-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
SMILESCNCCc1coc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H17NO2/c1-18-10-9-13-12-19-17-8-7-15(11-16(13)17)20-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3
InChIKeyHAKDTRQAZIIVJN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.99
Rot. Bonds5

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

N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine (PubChem CID 81048996) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
PubChem CID81048996
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
SMILESCNCCc1coc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C17H17NO2/c1-18-10-9-13-12-19-17-8-7-15(11-16(13)17)20-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3
InChIKeyHAKDTRQAZIIVJN-UHFFFAOYSA-N
XLogP3.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
2-[2-(methylamino)ethyl]-4-phenoxyphenol
CID 82552120
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylethanamine
CID 81048813
N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81038290
3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
CID 14152802
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
3-(5-methoxy-1-benzofuran-3-yl)propanoate
CID 6921490
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
3-(2-acetamidoethyl)-1-benzofuran-5-carboxylic acid
CID 69410961

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine (CID 81048996) is N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine is CNCCc1coc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
The InChIKey is HAKDTRQAZIIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-10-9-13-12-19-17-8-7-15(11-16(13)17)20-14-5-3-2-4-6-14/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine?
N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 81048996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).