(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine

C15H14BrF2NO — CID 78936952

IUPAC(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeySGHZJAWYZDIZLW-SECBINFHSA-N
MW342.18 g/mol
LogP4.33
Rot. Bonds4

About (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 78936952) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID78936952
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H14BrF2NO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeySGHZJAWYZDIZLW-SECBINFHSA-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

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Related Compounds

1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 62370026
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
3-[[2-[(1R)-1-aminoethyl]-4-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 63367878
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1S)-1-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367868
3-[[2-(1-aminoethyl)-4-methylphenoxy]methyl]-2-fluorobenzonitrile
CID 107114240
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine (CID 78936952) is (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cc(Br)ccc1OCc1cccc(F)c1F.
What is the InChIKey of (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is SGHZJAWYZDIZLW-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(2,3-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 (1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).