2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile

C16H14N2O — CID 79226177

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H14N2O/c17-9-12-5-1-3-7-15(12)18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,13,18H,10-11H2
InChIKeyXTRFARSYQHLDCG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.15
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile (PubChem CID 79226177) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
PubChem CID79226177
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H14N2O/c17-9-12-5-1-3-7-15(12)18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,13,18H,10-11H2
InChIKeyXTRFARSYQHLDCG-UHFFFAOYSA-N
XLogP3.15
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218637
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226666
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
3-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226743
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 79218652
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile (CID 79226177) is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile is N#Cc1ccccc1NCC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile?
The InChIKey is XTRFARSYQHLDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-9-12-5-1-3-7-15(12)18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,13,18H,10-11H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile?
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile has a molecular weight of 250.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 79226177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).