1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine

C15H15BrFNO — CID 82823693

IUPAC1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15-13(17)6-3-7-14(15)19-9-11-4-2-5-12(16)8-11/h2-8,10H,9,18H2,1H3
InChIKeyALOOEINKQNDRHW-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine

1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine (PubChem CID 82823693) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
PubChem CID82823693
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15-13(17)6-3-7-14(15)19-9-11-4-2-5-12(16)8-11/h2-8,10H,9,18H2,1H3
InChIKeyALOOEINKQNDRHW-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine (CID 82823693) is 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1OCc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
The InChIKey is ALOOEINKQNDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)15-13(17)6-3-7-14(15)19-9-11-4-2-5-12(16)8-11/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine?
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine is sourced from PubChem (CID 82823693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).