2,6-dibromo-4-tert-butylaniline

C10H13Br2N — CID 2761166

IUPAC2,6-dibromo-4-tert-butylaniline
SMILESCC(C)(C)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,13H2,1-3H3
InChIKeyFEHTXNYXDWPZCQ-UHFFFAOYSA-N
MW307.03 g/mol
LogP4.09
Rot. Bonds

About 2,6-dibromo-4-tert-butylaniline

2,6-dibromo-4-tert-butylaniline (PubChem CID 2761166) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 2,6-dibromo-4-tert-butylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-tert-butylaniline
PubChem CID2761166
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name2,6-dibromo-4-tert-butylaniline
SMILESCC(C)(C)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,13H2,1-3H3
InChIKeyFEHTXNYXDWPZCQ-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 54.09
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 2,6-dibromo-4-tert-butylaniline?
The IUPAC name of 2,6-dibromo-4-tert-butylaniline (CID 2761166) is 2,6-dibromo-4-tert-butylaniline.
What is the SMILES notation for 2,6-dibromo-4-tert-butylaniline?
The canonical SMILES for 2,6-dibromo-4-tert-butylaniline is CC(C)(C)c1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-tert-butylaniline?
The InChIKey is FEHTXNYXDWPZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,13H2,1-3H3.
What are the key properties of 2,6-dibromo-4-tert-butylaniline?
2,6-dibromo-4-tert-butylaniline has a molecular weight of 307.03 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-tert-butylaniline is sourced from PubChem (CID 2761166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).