1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine

C16H17BrFNO — CID 83140639

IUPAC1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrFNO/c1-10-9-12(7-8-13(10)17)20-15-6-4-5-14(18)16(15)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyVMUQZBQPNANTBJ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.97
Rot. Bonds4

About 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine

1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine (PubChem CID 83140639) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
PubChem CID83140639
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrFNO/c1-10-9-12(7-8-13(10)17)20-15-6-4-5-14(18)16(15)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyVMUQZBQPNANTBJ-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
CID 79167679
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine (CID 83140639) is 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Oc1ccc(Br)c(C)c1.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine?
The InChIKey is VMUQZBQPNANTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-9-12(7-8-13(10)17)20-15-6-4-5-14(18)16(15)11(2)19-3/h4-9,11,19H,1-3H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine?
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 83140639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).