4-(2-aminoethylamino)-3,5-difluorobenzonitrile

C9H9F2N3 — CID 81294761

IUPAC4-(2-aminoethylamino)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(NCCN)c(F)c1
InChIInChI=1S/C9H9F2N3/c10-7-3-6(5-13)4-8(11)9(7)14-2-1-12/h3-4,14H,1-2,12H2
InChIKeyTWTHNGLMBYVXGO-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.21
Rot. Bonds3

About 4-(2-aminoethylamino)-3,5-difluorobenzonitrile

4-(2-aminoethylamino)-3,5-difluorobenzonitrile (PubChem CID 81294761) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-aminoethylamino)-3,5-difluorobenzonitrile
PubChem CID81294761
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(2-aminoethylamino)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(NCCN)c(F)c1
InChIInChI=1S/C9H9F2N3/c10-7-3-6(5-13)4-8(11)9(7)14-2-1-12/h3-4,14H,1-2,12H2
InChIKeyTWTHNGLMBYVXGO-UHFFFAOYSA-N
XLogP1.21
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethylamino)-3,5-difluorobenzonitrile 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-(3,3-dimethylbutylamino)-3,5-difluorobenzonitrile
CID 115599015
3,5-difluoro-4-(4,4,4-trifluorobutylamino)benzonitrile
CID 79040621
4-(2-aminopropylamino)-3,5-difluorobenzonitrile
CID 81293263
4-[2-[di(propan-2-yl)amino]ethylamino]-3,5-difluorobenzonitrile
CID 52820169
3,5-difluoro-4-(4-methoxybutylamino)benzonitrile
CID 78988381
4-[[2-(aminomethyl)phenyl]methylamino]-3,5-difluorobenzonitrile
CID 81294412
3,5-difluoro-4-[4-(1,2,4-triazol-4-yl)butylamino]benzonitrile
CID 133325276
3,5-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzonitrile
CID 81293333
3,5-difluoro-4-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 81293460
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
tert-butyl N-[2-(4-cyano-2,6-difluoroanilino)ethyl]carbamate
CID 115599033
3,5-difluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106398946

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2-aminoethylamino)-3,5-difluorobenzonitrile (CID 81294761) is 4-(2-aminoethylamino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2-aminoethylamino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2-aminoethylamino)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(NCCN)c(F)c1.
What is the InChIKey of 4-(2-aminoethylamino)-3,5-difluorobenzonitrile?
The InChIKey is TWTHNGLMBYVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c10-7-3-6(5-13)4-8(11)9(7)14-2-1-12/h3-4,14H,1-2,12H2.
What are the key properties of 4-(2-aminoethylamino)-3,5-difluorobenzonitrile?
4-(2-aminoethylamino)-3,5-difluorobenzonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81294761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).