1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine

C14H19NO4 — CID 82715428

IUPAC1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO4/c1-10(15-18-8-7-16-2)13-9-11-5-4-6-12(17-3)14(11)19-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOHLFKPRIHJPSMG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds7

About 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine

1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine (PubChem CID 82715428) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
PubChem CID82715428
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO4/c1-10(15-18-8-7-16-2)13-9-11-5-4-6-12(17-3)14(11)19-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOHLFKPRIHJPSMG-UHFFFAOYSA-N
XLogP2.67
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115906657
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014584
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine (CID 82715428) is 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine is COCCONC(C)c1cc2cccc(OC)c2o1.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine?
The InChIKey is OHLFKPRIHJPSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(15-18-8-7-16-2)13-9-11-5-4-6-12(17-3)14(11)19-13/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine?
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 82715428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).