4-bromo-2-tert-butylaniline;hydrobromide

C10H15Br2N — CID 163332964

IUPAC4-bromo-2-tert-butylaniline;hydrobromide
SMILESBr.CC(C)(C)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN.BrH/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,12H2,1-3H3;1H
InChIKeyXFEBAUFDNGOYOI-UHFFFAOYSA-N
MW309.05 g/mol
LogP3.91
Rot. Bonds

About 4-bromo-2-tert-butylaniline;hydrobromide

4-bromo-2-tert-butylaniline;hydrobromide (PubChem CID 163332964) has the molecular formula C10H15Br2N and a molecular weight of 309.05 g/mol. Its IUPAC name is 4-bromo-2-tert-butylaniline;hydrobromide.

Molecular Properties

Compound Name4-bromo-2-tert-butylaniline;hydrobromide
PubChem CID163332964
Molecular FormulaC10H15Br2N
Molecular Weight309.05 g/mol
Exact Mass306.96
IUPAC Name4-bromo-2-tert-butylaniline;hydrobromide
SMILESBr.CC(C)(C)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN.BrH/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,12H2,1-3H3;1H
InChIKeyXFEBAUFDNGOYOI-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.05
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylaniline;hydrobromide?
The IUPAC name of 4-bromo-2-tert-butylaniline;hydrobromide (CID 163332964) is 4-bromo-2-tert-butylaniline;hydrobromide.
What is the SMILES notation for 4-bromo-2-tert-butylaniline;hydrobromide?
The canonical SMILES for 4-bromo-2-tert-butylaniline;hydrobromide is Br.CC(C)(C)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-tert-butylaniline;hydrobromide?
The InChIKey is XFEBAUFDNGOYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN.BrH/c1-10(2,3)8-6-7(11)4-5-9(8)12;/h4-6H,12H2,1-3H3;1H.
What are the key properties of 4-bromo-2-tert-butylaniline;hydrobromide?
4-bromo-2-tert-butylaniline;hydrobromide has a molecular weight of 309.05 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butylaniline;hydrobromide is sourced from PubChem (CID 163332964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).