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

C15H13Br2F2N — CID 106263591

IUPAC4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13Br2F2N/c1-2-9-7-10(16)3-6-14(9)20-8-11-13(18)5-4-12(17)15(11)19/h3-7,20H,2,8H2,1H3
InChIKeyUZKXMCNKSCJMEV-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.66
Rot. Bonds4

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

4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline (PubChem CID 106263591) 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-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
PubChem CID106263591
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
SMILESCCc1cc(Br)ccc1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13Br2F2N/c1-2-9-7-10(16)3-6-14(9)20-8-11-13(18)5-4-12(17)15(11)19/h3-7,20H,2,8H2,1H3
InChIKeyUZKXMCNKSCJMEV-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.08
LogP ≤ 55.66
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-ethylaniline
CID 106263151
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The IUPAC name of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline (CID 106263591) is 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The canonical SMILES for 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline is CCc1cc(Br)ccc1NCc1c(F)ccc(Br)c1F.
What is the InChIKey of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The InChIKey is UZKXMCNKSCJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-2-9-7-10(16)3-6-14(9)20-8-11-13(18)5-4-12(17)15(11)19/h3-7,20H,2,8H2,1H3.
What are the key properties of 4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline has a molecular weight of 405.08 g/mol, XLogP of 5.66, 4 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-ethylaniline is sourced from PubChem (CID 106263591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).