1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine

C15H15BrFNO — CID 43285412

IUPAC1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18-2)15-13(17)4-3-5-14(15)19-12-8-6-11(16)7-9-12/h3-10,18H,1-2H3
InChIKeyRIGUXDQXCIOAJB-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.66
Rot. Bonds4

About 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine

1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine (PubChem CID 43285412) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
PubChem CID43285412
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18-2)15-13(17)4-3-5-14(15)19-12-8-6-11(16)7-9-12/h3-10,18H,1-2H3
InChIKeyRIGUXDQXCIOAJB-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine (CID 43285412) is 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Oc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine?
The InChIKey is RIGUXDQXCIOAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18-2)15-13(17)4-3-5-14(15)19-12-8-6-11(16)7-9-12/h3-10,18H,1-2H3.
What are the key properties of 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine?
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43285412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).