4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide

C15H24F2N4 — CID 81285521

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CCN(C)C)CC(C)C)c(F)c1
InChIInChI=1S/C15H24F2N4/c1-10(2)9-21(6-5-20(3)4)14-12(16)7-11(15(18)19)8-13(14)17/h7-8,10H,5-6,9H2,1-4H3,(H3,18,19)
InChIKeySACAYEUOBXXEAB-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.27
Rot. Bonds7

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide (PubChem CID 81285521) has the molecular formula C15H24F2N4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
PubChem CID81285521
Molecular FormulaC15H24F2N4
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CCN(C)C)CC(C)C)c(F)c1
InChIInChI=1S/C15H24F2N4/c1-10(2)9-21(6-5-20(3)4)14-12(16)7-11(15(18)19)8-13(14)17/h7-8,10H,5-6,9H2,1-4H3,(H3,18,19)
InChIKeySACAYEUOBXXEAB-UHFFFAOYSA-N
XLogP2.27
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide 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-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
CID 107279228
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
3-fluoro-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 79490942
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide (CID 81285521) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(CCN(C)C)CC(C)C)c(F)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide?
The InChIKey is SACAYEUOBXXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4/c1-10(2)9-21(6-5-20(3)4)14-12(16)7-11(15(18)19)8-13(14)17/h7-8,10H,5-6,9H2,1-4H3,(H3,18,19).
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide has a molecular weight of 298.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81285521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).