1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine

C16H16BrF2NO — CID 79698106

IUPAC1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20-2)15-4-3-13(18)8-16(15)21-9-11-5-12(17)7-14(19)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyRTPYBIOBTAKKGE-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.59
Rot. Bonds5

About 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine

1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine (PubChem CID 79698106) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
PubChem CID79698106
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20-2)15-4-3-13(18)8-16(15)21-9-11-5-12(17)7-14(19)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyRTPYBIOBTAKKGE-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-[(4-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 107879395
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
1-[4-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 102947327
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 63064107
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888650
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
1-[4-bromo-2-[(3,4-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 102947591

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine (CID 79698106) is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine?
The InChIKey is RTPYBIOBTAKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20-2)15-4-3-13(18)8-16(15)21-9-11-5-12(17)7-14(19)6-11/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine?
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-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-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 79698106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).