2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C15H21NO3 — CID 114729833

IUPAC2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCOC(OCC)C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H21NO3/c1-4-17-15(18-5-2)14(16)13-9-11-8-10(3)6-7-12(11)19-13/h6-9,14-15H,4-5,16H2,1-3H3
InChIKeyKNOHUIUSWRSMBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds6

About 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114729833) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114729833
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCOC(OCC)C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H21NO3/c1-4-17-15(18-5-2)14(16)13-9-11-8-10(3)6-7-12(11)19-13/h6-9,14-15H,4-5,16H2,1-3H3
InChIKeyKNOHUIUSWRSMBV-UHFFFAOYSA-N
XLogP3.14
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654
1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
CID 105045260
[2-ethoxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235203
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
[3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338315
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 114729833) is 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine is CCOC(OCC)C(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is KNOHUIUSWRSMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-17-15(18-5-2)14(16)13-9-11-8-10(3)6-7-12(11)19-13/h6-9,14-15H,4-5,16H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114729833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).