4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline

C15H13Br2F2N — CID 106263172

IUPAC4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13Br2F2N/c1-8-5-10(16)6-9(2)15(8)20-7-11-13(18)4-3-12(17)14(11)19/h3-6,20H,7H2,1-2H3
InChIKeyLNOVMSQPFSKTDO-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.72
Rot. Bonds3

About 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline (PubChem CID 106263172) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
PubChem CID106263172
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13Br2F2N/c1-8-5-10(16)6-9(2)15(8)20-7-11-13(18)4-3-12(17)14(11)19/h3-6,20H,7H2,1-2H3
InChIKeyLNOVMSQPFSKTDO-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.08
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloro-4,6-difluoroaniline
CID 106263674
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263591
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 106263207
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline (CID 106263172) is 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NCc1c(F)ccc(Br)c1F.
What is the InChIKey of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is LNOVMSQPFSKTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-8-5-10(16)6-9(2)15(8)20-7-11-13(18)4-3-12(17)14(11)19/h3-6,20H,7H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline has a molecular weight of 405.08 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 106263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).