1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

C16H17BrFNO — CID 82824039

IUPAC1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C16H17BrFNO/c1-11(19-2)13-6-7-16(15(18)9-13)20-10-12-4-3-5-14(17)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyAARIJLDVGNRBBO-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine (PubChem CID 82824039) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
PubChem CID82824039
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C16H17BrFNO/c1-11(19-2)13-6-7-16(15(18)9-13)20-10-12-4-3-5-14(17)8-12/h3-9,11,19H,10H2,1-2H3
InChIKeyAARIJLDVGNRBBO-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

(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
1-[4-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 102947327
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-[3-chloro-4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 62910844
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine (CID 82824039) is 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
The InChIKey is AARIJLDVGNRBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19-2)13-6-7-16(15(18)9-13)20-10-12-4-3-5-14(17)8-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine?
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-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-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 82824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).