1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine

C15H15BrFNO — CID 79167679

IUPAC1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(Oc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18-2)11-4-3-5-12(8-11)19-13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyBZJOIZCUETVAHV-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine

1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine (PubChem CID 79167679) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
PubChem CID79167679
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(Oc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18-2)11-4-3-5-12(8-11)19-13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyBZJOIZCUETVAHV-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

N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
1-[3-(2-bromo-5-nitrophenoxy)phenyl]-N-methylethanamine
CID 103010545
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
1-[3-[3-(methoxymethyl)phenoxy]phenyl]-N-methylethanamine
CID 79167488
(1R)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81437346
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine (CID 79167679) is 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1cccc(Oc2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is BZJOIZCUETVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18-2)11-4-3-5-12(8-11)19-13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3.
What are the key properties of 1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine?
1-[3-(4-bromo-3-fluorophenoxy)phenyl]-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-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 79167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).