5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile

C16H18N2O2 — CID 115651531

IUPAC5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
SMILESCCC(NCc1ccc(C#N)o1)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O2/c1-3-16(12-4-6-13(19-2)7-5-12)18-11-15-9-8-14(10-17)20-15/h4-9,16,18H,3,11H2,1-2H3
InChIKeyMHZCYGMLKAIBQA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.40
Rot. Bonds6

About 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile

5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile (PubChem CID 115651531) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
PubChem CID115651531
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
SMILESCCC(NCc1ccc(C#N)o1)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O2/c1-3-16(12-4-6-13(19-2)7-5-12)18-11-15-9-8-14(10-17)20-15/h4-9,16,18H,3,11H2,1-2H3
InChIKeyMHZCYGMLKAIBQA-UHFFFAOYSA-N
XLogP3.40
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103912826
5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
CID 113250138
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 113481552
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile (CID 115651531) is 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile is CCC(NCc1ccc(C#N)o1)c1ccc(OC)cc1.
What is the InChIKey of 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile?
The InChIKey is MHZCYGMLKAIBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-16(12-4-6-13(19-2)7-5-12)18-11-15-9-8-14(10-17)20-15/h4-9,16,18H,3,11H2,1-2H3.
What are the key properties of 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile?
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile has a molecular weight of 270.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).