4-bromo-2-tert-butylaniline

C10H14BrN — CID 11959000

IUPAC4-bromo-2-tert-butylaniline
SMILESCC(C)(C)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3
InChIKeyMRHVSOBPZBXNEB-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.33
Rot. Bonds

About 4-bromo-2-tert-butylaniline

4-bromo-2-tert-butylaniline (PubChem CID 11959000) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-2-tert-butylaniline.

Molecular Properties

Compound Name4-bromo-2-tert-butylaniline
PubChem CID11959000
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-2-tert-butylaniline
SMILESCC(C)(C)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3
InChIKeyMRHVSOBPZBXNEB-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-4-methylaniline
CID 11422
4-Bromo-2-methylaniline
CID 11423
4-Bromo-2,6-xylidine
CID 90549
2-tert-Butylaniline
CID 80574
3-Bromo-o-toluidine
CID 123538
4-Bromo-2-ethylaniline
CID 2801283
4-Bromo-3,5-dimethylaniline
CID 12383117
4-Bromo-3-methylaniline
CID 23359
4-Bromo-2-(trifluoromethyl)aniline
CID 67960
4-Bromo-2,6-diisopropylaniline
CID 11780114
Benzenamine, 4-bromo-2-ethyl-, hydrochloride (1:1)
CID 2801282
2-Amino-5-bromobenzonitrile
CID 429740

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butylaniline?
The IUPAC name of 4-bromo-2-tert-butylaniline (CID 11959000) is 4-bromo-2-tert-butylaniline.
What is the SMILES notation for 4-bromo-2-tert-butylaniline?
The canonical SMILES for 4-bromo-2-tert-butylaniline is CC(C)(C)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-tert-butylaniline?
The InChIKey is MRHVSOBPZBXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3.
What are the key properties of 4-bromo-2-tert-butylaniline?
4-bromo-2-tert-butylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.33, 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 is sourced from PubChem (CID 11959000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).