1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine

C16H16BrF2NO — CID 107716998

IUPAC1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccc(F)cc2Br)cc1F
InChIInChI=1S/C16H16BrF2NO/c1-10(20-2)14-6-5-13(8-16(14)19)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,20H,9H2,1-2H3
InChIKeyZHBPXFXILVJZHT-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.59
Rot. Bonds5

About 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine

1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine (PubChem CID 107716998) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
PubChem CID107716998
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccc(F)cc2Br)cc1F
InChIInChI=1S/C16H16BrF2NO/c1-10(20-2)14-6-5-13(8-16(14)19)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,20H,9H2,1-2H3
InChIKeyZHBPXFXILVJZHT-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716897
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
1-[2-fluoro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 107716681
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine (CID 107716998) is 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2ccc(F)cc2Br)cc1F.
What is the InChIKey of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The InChIKey is ZHBPXFXILVJZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20-2)14-6-5-13(8-16(14)19)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine?
1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 107716998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).