4-bromo-2,6-dideuterio-N,N-dimethylaniline

C8H10BrN — CID 44887200

IUPAC4-bromo-2,6-dideuterio-N,N-dimethylaniline
SMILES[2H]c1cc(Br)cc([2H])c1N(C)C
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D,6D
InChIKeyXYZWMVYYUIMRIZ-KCZCTXNHSA-N
MW202.09 g/mol
LogP2.52
Rot. Bonds1

About 4-bromo-2,6-dideuterio-N,N-dimethylaniline

4-bromo-2,6-dideuterio-N,N-dimethylaniline (PubChem CID 44887200) has the molecular formula C8H10BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-2,6-dideuterio-N,N-dimethylaniline.

Molecular Properties

Compound Name4-bromo-2,6-dideuterio-N,N-dimethylaniline
PubChem CID44887200
Molecular FormulaC8H10BrN
Molecular Weight202.09 g/mol
Exact Mass201.01
IUPAC Name4-bromo-2,6-dideuterio-N,N-dimethylaniline
SMILES[2H]c1cc(Br)cc([2H])c1N(C)C
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D,6D
InChIKeyXYZWMVYYUIMRIZ-KCZCTXNHSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,N-dimethylaniline tetrafluoroborate
CID 175482314
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
5-bromo-3-N,3-N-dimethylbenzene-1,3-diamine
CID 131143775
2,3,5,6-tetradeuterio-4-(dimethylamino)benzaldehyde
CID 172687772
1-(4-bromophenyl)-1-methylhydrazine
CID 12754267
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
4-[(4-bromophenyl)methyl-[4-(dimethylamino)phenyl]silyl]-N,N-dimethylaniline
CID 150315249
N,N-dimethylaniline
CID 70392672
2-deuterio-N,N-dimethylpyridin-4-amine
CID 10942410
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dideuterio-N,N-dimethylaniline?
The IUPAC name of 4-bromo-2,6-dideuterio-N,N-dimethylaniline (CID 44887200) is 4-bromo-2,6-dideuterio-N,N-dimethylaniline.
What is the SMILES notation for 4-bromo-2,6-dideuterio-N,N-dimethylaniline?
The canonical SMILES for 4-bromo-2,6-dideuterio-N,N-dimethylaniline is [2H]c1cc(Br)cc([2H])c1N(C)C.
What is the InChIKey of 4-bromo-2,6-dideuterio-N,N-dimethylaniline?
The InChIKey is XYZWMVYYUIMRIZ-KCZCTXNHSA-N. The full InChI is InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3/i5D,6D.
What are the key properties of 4-bromo-2,6-dideuterio-N,N-dimethylaniline?
4-bromo-2,6-dideuterio-N,N-dimethylaniline has a molecular weight of 202.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dideuterio-N,N-dimethylaniline is sourced from PubChem (CID 44887200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).