N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine

C15H13Br2F2N — CID 107945869

IUPACN-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Br)c1c(F)cccc1F
InChIInChI=1S/C15H13Br2F2N/c1-2-20-15(10-7-6-9(16)8-11(10)17)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeySYHSGVAWSOCVHQ-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.19
Rot. Bonds4

About N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine

N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 107945869) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
PubChem CID107945869
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC NameN-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Br)c1c(F)cccc1F
InChIInChI=1S/C15H13Br2F2N/c1-2-20-15(10-7-6-9(16)8-11(10)17)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeySYHSGVAWSOCVHQ-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 105399065
N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
N-[(2-bromo-3-fluorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 81499504
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine (CID 107945869) is N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1Br)c1c(F)cccc1F.
What is the InChIKey of N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is SYHSGVAWSOCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-2-20-15(10-7-6-9(16)8-11(10)17)14-12(18)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine has a molecular weight of 405.08 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 107945869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).