2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride

C12H18ClNO2 — CID 43810586

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
SMILESCC1(C)Cc2cccc(OCCN)c2O1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13;/h3-5H,6-8,13H2,1-2H3;1H
InChIKeyLVLXBNJIEWKDJG-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.16
Rot. Bonds3

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride (PubChem CID 43810586) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
PubChem CID43810586
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
SMILESCC1(C)Cc2cccc(OCCN)c2O1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13;/h3-5H,6-8,13H2,1-2H3;1H
InChIKeyLVLXBNJIEWKDJG-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.16
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)oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride (CID 43810586) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride is CC1(C)Cc2cccc(OCCN)c2O1.Cl.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride?
The InChIKey is LVLXBNJIEWKDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13;/h3-5H,6-8,13H2,1-2H3;1H.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.16, 3 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)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 43810586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).