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

C15H15BrFNO — CID 82975522

IUPAC1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3
InChIKeyHPKUQDDFOLIDRC-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

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

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 82975522) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID82975522
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3
InChIKeyHPKUQDDFOLIDRC-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

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
4-[[2-[(1R)-1-aminoethyl]-5-bromophenoxy]methyl]-3-fluorobenzonitrile
CID 102946583
(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 78936952
(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 102947100
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine (CID 82975522) is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1ccc(Br)cc1OCc1ccccc1F.
What is the InChIKey of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is HPKUQDDFOLIDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]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-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82975522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).