5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile

C14H13ClN2O — CID 113481552

IUPAC5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
SMILESC[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyQBQBYSWVAQTLJF-JTQLQIEISA-N
MW260.72 g/mol
LogP3.66
Rot. Bonds4

About 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile

5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile (PubChem CID 113481552) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
PubChem CID113481552
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile
SMILESC[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyQBQBYSWVAQTLJF-JTQLQIEISA-N
XLogP3.66
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]furan-2-carbonitrile
CID 115651497
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651361
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile (CID 113481552) is 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile is C[C@H](NCc1ccc(C#N)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is QBQBYSWVAQTLJF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10(11-2-4-12(15)5-3-11)17-9-14-7-6-13(8-16)18-14/h2-7,10,17H,9H2,1H3/t10-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile?
5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile has a molecular weight of 260.72 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 113481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).