2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile

C14H20FN3 — CID 103188867

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1C#N)C(C)CN(C)C
InChIInChI=1S/C14H20FN3/c1-5-18(11(2)10-17(3)4)14-8-6-7-13(15)12(14)9-16/h6-8,11H,5,10H2,1-4H3
InChIKeyCBKGFQRRNUDXCB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile

2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile (PubChem CID 103188867) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
PubChem CID103188867
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1C#N)C(C)CN(C)C
InChIInChI=1S/C14H20FN3/c1-5-18(11(2)10-17(3)4)14-8-6-7-13(15)12(14)9-16/h6-8,11H,5,10H2,1-4H3
InChIKeyCBKGFQRRNUDXCB-UHFFFAOYSA-N
XLogP2.47
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile 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

2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
2-fluoro-6-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 79513656
2-fluoro-6-[methyl(4-methylpentan-2-yl)amino]benzonitrile
CID 78958831
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
CID 103189335
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-fluorobenzonitrile
CID 79513302
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
2-fluoro-6-[methyl(1-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 112551369
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
CID 78910916
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile (CID 103188867) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile is CCN(c1cccc(F)c1C#N)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile?
The InChIKey is CBKGFQRRNUDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-5-18(11(2)10-17(3)4)14-8-6-7-13(15)12(14)9-16/h6-8,11H,5,10H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile has a molecular weight of 249.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 103188867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).