1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride

C12H16ClNO — CID 132988801

IUPAC1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cccc2ccoc12.Cl
InChIInChI=1S/C12H15NO.ClH/c1-9(13-2)8-11-5-3-4-10-6-7-14-12(10)11;/h3-7,9,13H,8H2,1-2H3;1H
InChIKeyGFZXWARRDIINIA-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.01
Rot. Bonds3

About 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride

1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 132988801) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID132988801
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cccc2ccoc12.Cl
InChIInChI=1S/C12H15NO.ClH/c1-9(13-2)8-11-5-3-4-10-6-7-14-12(10)11;/h3-7,9,13H,8H2,1-2H3;1H
InChIKeyGFZXWARRDIINIA-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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Related Compounds

(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
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7-pentyl-1-benzofuran
CID 90916397
7-prop-2-enyl-1-benzofuran
CID 130133071
N-methyl-1-(1-propan-2-ylindol-7-yl)propan-2-amine
CID 115106542
N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
CID 117205172
N-methyl-1-(1-methylindazol-7-yl)propan-2-amine
CID 84721641
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride (CID 132988801) is 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1cccc2ccoc12.Cl.
What is the InChIKey of 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is GFZXWARRDIINIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-9(13-2)8-11-5-3-4-10-6-7-14-12(10)11;/h3-7,9,13H,8H2,1-2H3;1H.
What are the key properties of 1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride?
1-(1-benzofuran-7-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-7-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 132988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).