3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile

C14H14N2O — CID 43401833

IUPAC3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C14H14N2O/c1-11(14-6-3-7-17-14)16-10-13-5-2-4-12(8-13)9-15/h2-8,11,16H,10H2,1H3
InChIKeyCXAPHMFGPGJOSD-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.00
Rot. Bonds4

About 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile

3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile (PubChem CID 43401833) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
PubChem CID43401833
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C14H14N2O/c1-11(14-6-3-7-17-14)16-10-13-5-2-4-12(8-13)9-15/h2-8,11,16H,10H2,1H3
InChIKeyCXAPHMFGPGJOSD-UHFFFAOYSA-N
XLogP3.00
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzonitrile
CID 60919228
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 65335873
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
methyl 5-[1-[(3-cyanophenyl)methylamino]ethyl]furan-2-carboxylate
CID 103240174
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376
3-[(1,1-difluoropropan-2-ylamino)methyl]benzonitrile
CID 102869098

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile?
The IUPAC name of 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile (CID 43401833) is 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile is CC(NCc1cccc(C#N)c1)c1ccco1.
What is the InChIKey of 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile?
The InChIKey is CXAPHMFGPGJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(14-6-3-7-17-14)16-10-13-5-2-4-12(8-13)9-15/h2-8,11,16H,10H2,1H3.
What are the key properties of 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile?
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile has a molecular weight of 226.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile is sourced from PubChem (CID 43401833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).