2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile

C18H16N2O — CID 43722234

IUPAC2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H16N2O/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-16-8-6-14(7-9-16)10-11-19/h2-9,12-13,20H,10H2,1H3
InChIKeyUPWCIJYLCVOALA-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.67
Rot. Bonds4

About 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile

2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile (PubChem CID 43722234) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
PubChem CID43722234
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
SMILESCC(Nc1ccc(CC#N)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H16N2O/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-16-8-6-14(7-9-16)10-11-19/h2-9,12-13,20H,10H2,1H3
InChIKeyUPWCIJYLCVOALA-UHFFFAOYSA-N
XLogP4.67
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
4-[1-(1-benzofuran-2-yl)ethylamino]-3-fluorobenzonitrile
CID 78980854
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
CID 43722276
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile (CID 43722234) is 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile is CC(Nc1ccc(CC#N)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile?
The InChIKey is UPWCIJYLCVOALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-16-8-6-14(7-9-16)10-11-19/h2-9,12-13,20H,10H2,1H3.
What are the key properties of 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile?
2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile has a molecular weight of 276.34 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 43722234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).