N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine

C15H13Br2F2N — CID 63509311

IUPACN-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C15H13Br2F2N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyZQUNWFIFAHOLNF-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.19
Rot. Bonds4

About N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine

N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 63509311) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
PubChem CID63509311
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC NameN-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C15H13Br2F2N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3
InChIKeyZQUNWFIFAHOLNF-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-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2,5-dibromophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65101679
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657
N-[(5-bromo-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]ethanamine
CID 105011782
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 106763062
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 102827536
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine (CID 63509311) is N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1Br)c1cccc(F)c1F.
What is the InChIKey of N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is ZQUNWFIFAHOLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-2-20-15(10-4-3-5-13(18)14(10)19)11-8-9(16)6-7-12(11)17/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine?
N-[(2,5-dibromophenyl)-(2,3-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-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63509311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).