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

C16H17BrFNO — CID 82975373

IUPAC1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(19-2)14-8-7-13(17)9-16(14)20-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10H2,1-2H3
InChIKeyDLDWESVVSGYADJ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.45
Rot. Bonds5

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

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 82975373) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID82975373
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(19-2)14-8-7-13(17)9-16(14)20-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10H2,1-2H3
InChIKeyDLDWESVVSGYADJ-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
1-[4-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 102947327
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82954421
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
(1S)-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761545
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 82975373) is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1OCc1ccccc1F.
What is the InChIKey of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is DLDWESVVSGYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19-2)14-8-7-13(17)9-16(14)20-10-12-5-3-4-6-15(12)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 82975373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).