2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine

C14H21NO2 — CID 66073414

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
SMILESCCOC(CN)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C14H21NO2/c1-4-16-12(9-15)11-7-5-6-10-8-14(2,3)17-13(10)11/h5-7,12H,4,8-9,15H2,1-3H3
InChIKeyNNTFISJGTWSKTI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine (PubChem CID 66073414) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
PubChem CID66073414
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
SMILESCCOC(CN)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C14H21NO2/c1-4-16-12(9-15)11-7-5-6-10-8-14(2,3)17-13(10)11/h5-7,12H,4,8-9,15H2,1-3H3
InChIKeyNNTFISJGTWSKTI-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine (CID 66073414) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine is CCOC(CN)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine?
The InChIKey is NNTFISJGTWSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-16-12(9-15)11-7-5-6-10-8-14(2,3)17-13(10)11/h5-7,12H,4,8-9,15H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine is sourced from PubChem (CID 66073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).