4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide

C11H16BrN3 — CID 114904389

IUPAC4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(C)C(C)C
InChIInChI=1S/C11H16BrN3/c1-7(2)15(3)10-6-8(12)4-5-9(10)11(13)14/h4-7H,1-3H3,(H3,13,14)
InChIKeyAFCBXBOKZPHIJP-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds3

About 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide

4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 114904389) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID114904389
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(C)C(C)C
InChIInChI=1S/C11H16BrN3/c1-7(2)15(3)10-6-8(12)4-5-9(10)11(13)14/h4-7H,1-3H3,(H3,13,14)
InChIKeyAFCBXBOKZPHIJP-UHFFFAOYSA-N
XLogP2.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904511
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 114904462
4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 114904502
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
4-bromo-2-[ethyl(pyridin-4-ylmethyl)amino]benzenecarboximidamide
CID 114904492
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide (CID 114904389) is 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N(C)C(C)C.
What is the InChIKey of 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is AFCBXBOKZPHIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-7(2)15(3)10-6-8(12)4-5-9(10)11(13)14/h4-7H,1-3H3,(H3,13,14).
What are the key properties of 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 270.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 114904389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).