4-bromo-N,N,3,5-tetramethylaniline

C10H14BrN — CID 44629944

IUPAC4-bromo-N,N,3,5-tetramethylaniline
SMILESCc1cc(N(C)C)cc(C)c1Br
InChIInChI=1S/C10H14BrN/c1-7-5-9(12(3)4)6-8(2)10(7)11/h5-6H,1-4H3
InChIKeyAQJHDBKXJXXDKV-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.13
Rot. Bonds1

About 4-bromo-N,N,3,5-tetramethylaniline

4-bromo-N,N,3,5-tetramethylaniline (PubChem CID 44629944) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 4-bromo-N,N,3,5-tetramethylaniline.

Molecular Properties

Compound Name4-bromo-N,N,3,5-tetramethylaniline
PubChem CID44629944
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name4-bromo-N,N,3,5-tetramethylaniline
SMILESCc1cc(N(C)C)cc(C)c1Br
InChIInChI=1S/C10H14BrN/c1-7-5-9(12(3)4)6-8(2)10(7)11/h5-6H,1-4H3
InChIKeyAQJHDBKXJXXDKV-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3,5-Tetramethylaniline
CID 78625
4-Bromo-3,5-dimethylaniline
CID 12383117
4-bromo-N,N,2,6-tetramethylaniline
CID 142731
4-Bromo-N,N,3-trimethylaniline
CID 12385715
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
CID 688191
2-Bromo-N,N,5-trimethylaniline
CID 3355354
3-bromo-N,N,4-trimethylaniline
CID 12385716
2-(Dimethylamino)-2'-bromo-1,1'-biphenyl
CID 16217793
3-(bromomethyl)-N,N-dimethylaniline hydrobromide
CID 19090139
1-Bromo-4-isocyano-2-methylbenzene
CID 58909525
4-bromo-N,3-dimethylaniline hydrochloride
CID 137949423
4-bromo-2,6-diisopropyl-N,N-dimethylbenzenamine
CID 57931830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N,3,5-tetramethylaniline?
The IUPAC name of 4-bromo-N,N,3,5-tetramethylaniline (CID 44629944) is 4-bromo-N,N,3,5-tetramethylaniline.
What is the SMILES notation for 4-bromo-N,N,3,5-tetramethylaniline?
The canonical SMILES for 4-bromo-N,N,3,5-tetramethylaniline is Cc1cc(N(C)C)cc(C)c1Br.
What is the InChIKey of 4-bromo-N,N,3,5-tetramethylaniline?
The InChIKey is AQJHDBKXJXXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-5-9(12(3)4)6-8(2)10(7)11/h5-6H,1-4H3.
What are the key properties of 4-bromo-N,N,3,5-tetramethylaniline?
4-bromo-N,N,3,5-tetramethylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N,3,5-tetramethylaniline is sourced from PubChem (CID 44629944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).