5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile

C15H16N2O2 — CID 65335873

IUPAC5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC(C)c2ccco2)cc1C#N
InChIInChI=1S/C15H16N2O2/c1-11(14-4-3-7-19-14)17-10-12-5-6-15(18-2)13(8-12)9-16/h3-8,11,17H,10H2,1-2H3
InChIKeyHKRNTSKLWVKULC-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.01
Rot. Bonds5

About 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile

5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile (PubChem CID 65335873) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile
PubChem CID65335873
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC(C)c2ccco2)cc1C#N
InChIInChI=1S/C15H16N2O2/c1-11(14-4-3-7-19-14)17-10-12-5-6-15(18-2)13(8-12)9-16/h3-8,11,17H,10H2,1-2H3
InChIKeyHKRNTSKLWVKULC-UHFFFAOYSA-N
XLogP3.01
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-2-methoxybenzonitrile
CID 111470533
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833
2-methoxy-5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 79032872
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
methyl (2S)-2-[(3-cyano-4-methoxyphenyl)methylamino]propanoate
CID 65341138
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-2-methoxybenzonitrile
CID 113243204
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile (CID 65335873) is 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile is COc1ccc(CNC(C)c2ccco2)cc1C#N.
What is the InChIKey of 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is HKRNTSKLWVKULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(14-4-3-7-19-14)17-10-12-5-6-15(18-2)13(8-12)9-16/h3-8,11,17H,10H2,1-2H3.
What are the key properties of 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile?
5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 256.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65335873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).