4-bromo-2,6-di(propan-2-yl)aniline

C12H18BrN — CID 11780114

IUPAC4-bromo-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Br)cc(C(C)C)c1N
InChIInChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKeyQAQRHTYPYQPBSX-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.28
Rot. Bonds2

About 4-bromo-2,6-di(propan-2-yl)aniline

4-bromo-2,6-di(propan-2-yl)aniline (PubChem CID 11780114) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 4-bromo-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-di(propan-2-yl)aniline
PubChem CID11780114
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name4-bromo-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Br)cc(C(C)C)c1N
InChIInChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKeyQAQRHTYPYQPBSX-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.28
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

Diisopropylaniline
CID 32484
4-Bromo-2-methylaniline
CID 11423
4-Bromo-2,6-xylidine
CID 90549
4-Bromo-2-ethylaniline
CID 2801283
4-Bromo-3,5-dimethylaniline
CID 12383117
2-Bromo-4,6-dimethylaniline
CID 170579
2-Amino-3,5-dibromotoluene
CID 458688
4-bromo-N,N,2,6-tetramethylaniline
CID 142731
2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)benzenamine
CID 58297558
2,6-Dibromo-4-(1-methylethyl)benzenamine
CID 139184
2-Bromo-4-isopropylaniline
CID 521337
4-Bromo-2,6-diethylaniline
CID 611452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-bromo-2,6-di(propan-2-yl)aniline (CID 11780114) is 4-bromo-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-bromo-2,6-di(propan-2-yl)aniline is CC(C)c1cc(Br)cc(C(C)C)c1N.
What is the InChIKey of 4-bromo-2,6-di(propan-2-yl)aniline?
The InChIKey is QAQRHTYPYQPBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3.
What are the key properties of 4-bromo-2,6-di(propan-2-yl)aniline?
4-bromo-2,6-di(propan-2-yl)aniline has a molecular weight of 256.19 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 11780114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).