4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile

C16H18N2O — CID 43684987

IUPAC4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile
SMILESCc1ccc(C(C)NC(C)c2ccc(C#N)cc2)o1
InChIInChI=1S/C16H18N2O/c1-11-4-9-16(19-11)13(3)18-12(2)15-7-5-14(10-17)6-8-15/h4-9,12-13,18H,1-3H3
InChIKeyJSAGYLDPOCXFLP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.87
Rot. Bonds4

About 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile

4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile (PubChem CID 43684987) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile
PubChem CID43684987
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile
SMILESCc1ccc(C(C)NC(C)c2ccc(C#N)cc2)o1
InChIInChI=1S/C16H18N2O/c1-11-4-9-16(19-11)13(3)18-12(2)15-7-5-14(10-17)6-8-15/h4-9,12-13,18H,1-3H3
InChIKeyJSAGYLDPOCXFLP-UHFFFAOYSA-N
XLogP3.87
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile 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

4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]benzonitrile
CID 65310365
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 43685007
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile (CID 43684987) is 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile is Cc1ccc(C(C)NC(C)c2ccc(C#N)cc2)o1.
What is the InChIKey of 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile?
The InChIKey is JSAGYLDPOCXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-4-9-16(19-11)13(3)18-12(2)15-7-5-14(10-17)6-8-15/h4-9,12-13,18H,1-3H3.
What are the key properties of 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile?
4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 43684987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).