1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine

C15H14BrF2NO — CID 62369042

IUPAC1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3
InChIKeyCZMDWKGDPVNJNZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.33
Rot. Bonds4

About 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 62369042) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID62369042
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3
InChIKeyCZMDWKGDPVNJNZ-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
3-[[2-[(1R)-1-aminoethyl]-4-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 63367878
(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 78936952
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
2-[[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902706
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine (CID 62369042) is 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1cc(Br)ccc1OCc1cc(F)ccc1F.
What is the InChIKey of 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is CZMDWKGDPVNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3.
What are the key properties of 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62369042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).