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

C15H12Br2F3N — CID 106648036

IUPACN-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H12Br2F3N/c1-2-21-15(9-4-3-5-10(17)14(9)20)13-11(18)6-8(16)7-12(13)19/h3-7,15,21H,2H2,1H3
InChIKeyKWHLNLIKNVGXHE-UHFFFAOYSA-N
MW423.07 g/mol
LogP5.33
Rot. Bonds4

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

N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine (PubChem CID 106648036) has the molecular formula C15H12Br2F3N and a molecular weight of 423.07 g/mol. Its IUPAC name is N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
PubChem CID106648036
Molecular FormulaC15H12Br2F3N
Molecular Weight423.07 g/mol
Exact Mass420.93
IUPAC NameN-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H12Br2F3N/c1-2-21-15(9-4-3-5-10(17)14(9)20)13-11(18)6-8(16)7-12(13)19/h3-7,15,21H,2H2,1H3
InChIKeyKWHLNLIKNVGXHE-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.07
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 81499504
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine (CID 106648036) is N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1F)c1c(F)cc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine?
The InChIKey is KWHLNLIKNVGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F3N/c1-2-21-15(9-4-3-5-10(17)14(9)20)13-11(18)6-8(16)7-12(13)19/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine?
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine has a molecular weight of 423.07 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106648036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).