5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile

C14H14N2O2 — CID 113242815

IUPAC5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
SMILESCOc1ccc(CNCc2ccc(C#N)o2)cc1
InChIInChI=1S/C14H14N2O2/c1-17-12-4-2-11(3-5-12)9-16-10-14-7-6-13(8-15)18-14/h2-7,16H,9-10H2,1H3
InChIKeyZULAOKHZWWOXJH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.45
Rot. Bonds5

About 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile

5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 113242815) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
PubChem CID113242815
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
SMILESCOc1ccc(CNCc2ccc(C#N)o2)cc1
InChIInChI=1S/C14H14N2O2/c1-17-12-4-2-11(3-5-12)9-16-10-14-7-6-13(8-15)18-14/h2-7,16H,9-10H2,1H3
InChIKeyZULAOKHZWWOXJH-UHFFFAOYSA-N
XLogP2.45
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
N-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]furan-2-carbonitrile
CID 115651294
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile (CID 113242815) is 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile is COc1ccc(CNCc2ccc(C#N)o2)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is ZULAOKHZWWOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-12-4-2-11(3-5-12)9-16-10-14-7-6-13(8-15)18-14/h2-7,16H,9-10H2,1H3.
What are the key properties of 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile?
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 113242815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).