(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride

C11H16ClNO — CID 154878850

IUPAC(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride
SMILESCC1(C)OCc2cc(CN)ccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(2)10-4-3-8(6-12)5-9(10)7-13-11;/h3-5H,6-7,12H2,1-2H3;1H
InChIKeyOUQXPXHSRUVQJI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.33
Rot. Bonds1

About (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride

(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride (PubChem CID 154878850) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride
PubChem CID154878850
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride
SMILESCC1(C)OCc2cc(CN)ccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(2)10-4-3-8(6-12)5-9(10)7-13-11;/h3-5H,6-7,12H2,1-2H3;1H
InChIKeyOUQXPXHSRUVQJI-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride (CID 154878850) is (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride is CC1(C)OCc2cc(CN)ccc21.Cl.
What is the InChIKey of (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride?
The InChIKey is OUQXPXHSRUVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-11(2)10-4-3-8(6-12)5-9(10)7-13-11;/h3-5H,6-7,12H2,1-2H3;1H.
What are the key properties of (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride?
(1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethyl-3H-2-benzofuran-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 154878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).