1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride

C12H16ClNO — CID 119057997

IUPAC1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11;/h3-6,8-9,13H,7H2,1-2H3;1H
InChIKeyMEDMUZZETVRTFG-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.01
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride

1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 119057997) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID119057997
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11;/h3-6,8-9,13H,7H2,1-2H3;1H
InChIKeyMEDMUZZETVRTFG-UHFFFAOYSA-N
XLogP3.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride (CID 119057997) is 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is MEDMUZZETVRTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11;/h3-6,8-9,13H,7H2,1-2H3;1H.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride?
1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 119057997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).