2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide

C15H25BrN4 — CID 107279228

IUPAC2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCN(C)C)CC(C)C)cc1Br
InChIInChI=1S/C15H25BrN4/c1-11(2)10-20(8-7-19(3)4)12-5-6-13(15(17)18)14(16)9-12/h5-6,9,11H,7-8,10H2,1-4H3,(H3,17,18)
InChIKeyJESXVMCERDHATJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.76
Rot. Bonds7

About 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide

2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 107279228) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
PubChem CID107279228
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCN(C)C)CC(C)C)cc1Br
InChIInChI=1S/C15H25BrN4/c1-11(2)10-20(8-7-19(3)4)12-5-6-13(15(17)18)14(16)9-12/h5-6,9,11H,7-8,10H2,1-4H3,(H3,17,18)
InChIKeyJESXVMCERDHATJ-UHFFFAOYSA-N
XLogP2.76
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.76
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'}

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Related Compounds

4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 107279116
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285521
4-[bis(2-methylpropyl)amino]-2-bromo-N'-hydroxybenzenecarboximidamide
CID 107278596
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzoic acid
CID 104500469
2-bromo-4-[(4,4-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
CID 107279366
2-[3-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107424804
2-bromo-4-[cyclobutylmethyl(methyl)amino]benzenecarboximidamide
CID 107279277
2-[3-bromo-4-carbamothioyl-N-(2-methylpropyl)anilino]acetamide
CID 107277610
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279164
2-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 107281883

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide (CID 107279228) is 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCN(C)C)CC(C)C)cc1Br.
What is the InChIKey of 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is JESXVMCERDHATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-11(2)10-20(8-7-19(3)4)12-5-6-13(15(17)18)14(16)9-12/h5-6,9,11H,7-8,10H2,1-4H3,(H3,17,18).
What are the key properties of 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide?
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 341.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107279228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).