N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine

C15H15BrFNO — CID 43314185

IUPACN-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-18-10-11-9-13(17)5-8-15(11)19-14-6-3-12(16)4-7-14/h3-9,18H,2,10H2,1H3
InChIKeyXGIWRBHPBPUHLC-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.49
Rot. Bonds5

About N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine

N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine (PubChem CID 43314185) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
PubChem CID43314185
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-18-10-11-9-13(17)5-8-15(11)19-14-6-3-12(16)4-7-14/h3-9,18H,2,10H2,1H3
InChIKeyXGIWRBHPBPUHLC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229881
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 83136673
N-[[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 63552404
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine (CID 43314185) is N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is XGIWRBHPBPUHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-18-10-11-9-13(17)5-8-15(11)19-14-6-3-12(16)4-7-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 43314185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).