2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile

C13H16N2O — CID 66363965

IUPAC2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)CC1Cc2ccccc2O1
InChIInChI=1S/C13H16N2O/c1-10(8-14)15(2)9-12-7-11-5-3-4-6-13(11)16-12/h3-6,10,12H,7,9H2,1-2H3
InChIKeyCDRNBGQFQZBFIX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.83
Rot. Bonds3

About 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile

2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile (PubChem CID 66363965) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
PubChem CID66363965
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
SMILESCC(C#N)N(C)CC1Cc2ccccc2O1
InChIInChI=1S/C13H16N2O/c1-10(8-14)15(2)9-12-7-11-5-3-4-6-13(11)16-12/h3-6,10,12H,7,9H2,1-2H3
InChIKeyCDRNBGQFQZBFIX-UHFFFAOYSA-N
XLogP1.83
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile
CID 66364156
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(ethyl)amino]acetonitrile
CID 66363771
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
3-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]butanenitrile
CID 66362900
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile (CID 66363965) is 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile is CC(C#N)N(C)CC1Cc2ccccc2O1.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile?
The InChIKey is CDRNBGQFQZBFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(8-14)15(2)9-12-7-11-5-3-4-6-13(11)16-12/h3-6,10,12H,7,9H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile?
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile has a molecular weight of 216.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 66363965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).