4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile

C16H18N2O — CID 114481043

IUPAC4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
SMILESCCN(Cc1ccco1)Cc1ccc(C#N)cc1C
InChIInChI=1S/C16H18N2O/c1-3-18(12-16-5-4-8-19-16)11-15-7-6-14(10-17)9-13(15)2/h4-9H,3,11-12H2,1-2H3
InChIKeyIHWWHDTVKMGRSP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.48
Rot. Bonds5

About 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile (PubChem CID 114481043) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
PubChem CID114481043
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
SMILESCCN(Cc1ccco1)Cc1ccc(C#N)cc1C
InChIInChI=1S/C16H18N2O/c1-3-18(12-16-5-4-8-19-16)11-15-7-6-14(10-17)9-13(15)2/h4-9H,3,11-12H2,1-2H3
InChIKeyIHWWHDTVKMGRSP-UHFFFAOYSA-N
XLogP3.48
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile 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-[[cyanomethyl(ethyl)amino]methyl]-3-methylbenzonitrile
CID 114480910
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467
4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
CID 114481266
3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62918891
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640
3-bromo-4-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 82796951
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
2-[(4-cyano-2-methylphenyl)methyl-propylamino]-N-methylacetamide
CID 114481086
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile (CID 114481043) is 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile is CCN(Cc1ccco1)Cc1ccc(C#N)cc1C.
What is the InChIKey of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile?
The InChIKey is IHWWHDTVKMGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-18(12-16-5-4-8-19-16)11-15-7-6-14(10-17)9-13(15)2/h4-9H,3,11-12H2,1-2H3.
What are the key properties of 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile?
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114481043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).