N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine

C15H14BrF2N — CID 114887292

IUPACN-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(10-6-3-4-8-12(10)17)14-11(16)7-5-9-13(14)18/h3-9,15,19H,2H2,1H3
InChIKeyQYBIKTFZQZMKGV-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.43
Rot. Bonds4

About N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine

N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 114887292) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID114887292
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrF2N/c1-2-19-15(10-6-3-4-8-12(10)17)14-11(16)7-5-9-13(14)18/h3-9,15,19H,2H2,1H3
InChIKeyQYBIKTFZQZMKGV-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.43
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-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 106763059
N-[(2-bromo-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 114558982
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
CID 114887250
N-[(2,4-dibromophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945869
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine (CID 114887292) is N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1ccccc1F)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is QYBIKTFZQZMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-19-15(10-6-3-4-8-12(10)17)14-11(16)7-5-9-13(14)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 114887292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).