3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile

C15H16N2O — CID 64536146

IUPAC3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile
SMILESCN(Cc1ccoc1)CC(C#N)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17(10-13-7-8-18-12-13)11-15(9-16)14-5-3-2-4-6-14/h2-8,12,15H,10-11H2,1H3
InChIKeyCAFCGZSMTCPYPR-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.02
Rot. Bonds5

About 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile

3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile (PubChem CID 64536146) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile
PubChem CID64536146
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile
SMILESCN(Cc1ccoc1)CC(C#N)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17(10-13-7-8-18-12-13)11-15(9-16)14-5-3-2-4-6-14/h2-8,12,15H,10-11H2,1H3
InChIKeyCAFCGZSMTCPYPR-UHFFFAOYSA-N
XLogP3.02
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile (CID 64536146) is 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile is CN(Cc1ccoc1)CC(C#N)c1ccccc1.
What is the InChIKey of 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile?
The InChIKey is CAFCGZSMTCPYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17(10-13-7-8-18-12-13)11-15(9-16)14-5-3-2-4-6-14/h2-8,12,15H,10-11H2,1H3.
What are the key properties of 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile?
3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile has a molecular weight of 240.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 64536146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).