N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

C15H13BrF3N — CID 43490176

IUPACN-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrF3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyANGOSTPKBOSEQE-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.57
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43490176) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43490176
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrF3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyANGOSTPKBOSEQE-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2-bromo-3,4-difluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 107539255
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(5-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495638
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
N-[(5-bromo-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]ethanamine
CID 105011782
N-[(5-bromo-2-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine
CID 81049108
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 106763062
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine (CID 43490176) is N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)c1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is ANGOSTPKBOSEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).