4-bromo-2-(tert-butylamino)benzenecarboximidamide

C11H16BrN3 — CID 114904558

IUPAC4-bromo-2-(tert-butylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1NC(C)(C)C
InChIInChI=1S/C11H16BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)10(13)14/h4-6,15H,1-3H3,(H3,13,14)
InChIKeyPWOCJHOYLOZQFP-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.94
Rot. Bonds2

About 4-bromo-2-(tert-butylamino)benzenecarboximidamide

4-bromo-2-(tert-butylamino)benzenecarboximidamide (PubChem CID 114904558) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-bromo-2-(tert-butylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(tert-butylamino)benzenecarboximidamide
PubChem CID114904558
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-bromo-2-(tert-butylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1NC(C)(C)C
InChIInChI=1S/C11H16BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)10(13)14/h4-6,15H,1-3H3,(H3,13,14)
InChIKeyPWOCJHOYLOZQFP-UHFFFAOYSA-N
XLogP2.94
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.94
H-Bond Donors ≤ 53
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-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
3-(5-bromo-2-carbamoylanilino)-2,2,3-trimethylbutanoic acid
CID 114901066
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
5-bromo-N-tert-butyl-2-propan-2-ylaniline
CID 135318709
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089
3-(5-bromo-2-carbamothioylanilino)-3-methylbutanamide
CID 114142934
4-bromo-2-piperidin-1-ylbenzenecarboximidamide
CID 114904395
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114904512
[5-bromo-2-(tert-butylamino)phenyl]-dihydroxyazanium
CID 163411660
4-bromo-1-N-tert-butyl-2-N,2-N-dihydroxybenzene-1,2-diamine
CID 163411661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(tert-butylamino)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(tert-butylamino)benzenecarboximidamide (CID 114904558) is 4-bromo-2-(tert-butylamino)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(tert-butylamino)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(tert-butylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1NC(C)(C)C.
What is the InChIKey of 4-bromo-2-(tert-butylamino)benzenecarboximidamide?
The InChIKey is PWOCJHOYLOZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)10(13)14/h4-6,15H,1-3H3,(H3,13,14).
What are the key properties of 4-bromo-2-(tert-butylamino)benzenecarboximidamide?
4-bromo-2-(tert-butylamino)benzenecarboximidamide has a molecular weight of 270.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(tert-butylamino)benzenecarboximidamide is sourced from PubChem (CID 114904558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).