5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile

C15H16N2O2 — CID 104865108

IUPAC5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
SMILESCOc1ccc([C@@H](C)NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(12-3-5-13(18-2)6-4-12)17-10-15-8-7-14(9-16)19-15/h3-8,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyYEYWCOIKBRYUTE-LLVKDONJSA-N
MW256.31 g/mol
LogP3.01
Rot. Bonds5

About 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile

5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile (PubChem CID 104865108) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
PubChem CID104865108
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
SMILESCOc1ccc([C@@H](C)NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(12-3-5-13(18-2)6-4-12)17-10-15-8-7-14(9-16)19-15/h3-8,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyYEYWCOIKBRYUTE-LLVKDONJSA-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-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
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-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 62050449
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
1-(4-methoxyphenyl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 66243020

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile (CID 104865108) is 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile is COc1ccc([C@@H](C)NCc2ccc(C#N)o2)cc1.
What is the InChIKey of 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is YEYWCOIKBRYUTE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(12-3-5-13(18-2)6-4-12)17-10-15-8-7-14(9-16)19-15/h3-8,11,17H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile?
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile 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-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 104865108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).