1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol

C13H19NO2 — CID 168924242

IUPAC1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
SMILESCNC(C)Cc1ccc2ccoc2c1.CO
InChIInChI=1S/C12H15NO.CH4O/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10;1-2/h3-6,8-9,13H,7H2,1-2H3;2H,1H3
InChIKeyUMBFQKJHWPPHQD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds3

About 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol

1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol (PubChem CID 168924242) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
PubChem CID168924242
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
SMILESCNC(C)Cc1ccc2ccoc2c1.CO
InChIInChI=1S/C12H15NO.CH4O/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10;1-2/h3-6,8-9,13H,7H2,1-2H3;2H,1H3
InChIKeyUMBFQKJHWPPHQD-UHFFFAOYSA-N
XLogP2.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(1-benzofuran-6-yl)propan-2-yl]-methylazanium
CID 168924314
6-(propan-2-yloxymethyl)-1-benzofuran
CID 171518537
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
3-(1-benzofuran-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168924113
3-(1-benzofuran-6-yl)-4-fluoro-N-methylbutan-2-amine
CID 166892557
3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
CID 168924273
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
4-(1-benzofuran-6-yl)butan-1-ol
CID 173058838
N-methyl-1-(1-methylindol-6-yl)propan-2-amine
CID 115106675
CID 146760748
CID 146760748
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
1-(1-benzofuran-6-yl)-4-fluoro-2-(methylamino)butane-1,3-diol
CID 175898313

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol?
The IUPAC name of 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol (CID 168924242) is 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol.
What is the SMILES notation for 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol?
The canonical SMILES for 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol is CNC(C)Cc1ccc2ccoc2c1.CO.
What is the InChIKey of 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol?
The InChIKey is UMBFQKJHWPPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.CH4O/c1-9(13-2)7-10-3-4-11-5-6-14-12(11)8-10;1-2/h3-6,8-9,13H,7H2,1-2H3;2H,1H3.
What are the key properties of 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol?
1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol has a molecular weight of 221.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol is sourced from PubChem (CID 168924242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).