4-bromo-N,N-dibutylaniline

C14H22BrN — CID 13169152

IUPAC4-bromo-N,N-dibutylaniline
SMILESCCCCN(CCCC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUUZAXCYJSHWGLA-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.86
Rot. Bonds7

About 4-bromo-N,N-dibutylaniline

4-bromo-N,N-dibutylaniline (PubChem CID 13169152) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-bromo-N,N-dibutylaniline.

Molecular Properties

Compound Name4-bromo-N,N-dibutylaniline
PubChem CID13169152
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name4-bromo-N,N-dibutylaniline
SMILESCCCCN(CCCC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUUZAXCYJSHWGLA-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dibutylaniline?
The IUPAC name of 4-bromo-N,N-dibutylaniline (CID 13169152) is 4-bromo-N,N-dibutylaniline.
What is the SMILES notation for 4-bromo-N,N-dibutylaniline?
The canonical SMILES for 4-bromo-N,N-dibutylaniline is CCCCN(CCCC)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dibutylaniline?
The InChIKey is UUZAXCYJSHWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 4-bromo-N,N-dibutylaniline?
4-bromo-N,N-dibutylaniline has a molecular weight of 284.24 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dibutylaniline is sourced from PubChem (CID 13169152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).