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

C16H17BrFNO — CID 78947233

IUPAC(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-14(11(2)19)16(7-10)20-9-12-4-5-13(18)8-15(12)17/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1
InChIKeyPZESLODYWMXCOJ-LLVKDONJSA-N
MW338.22 g/mol
LogP4.50
Rot. Bonds4

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

(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 78947233) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID78947233
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-14(11(2)19)16(7-10)20-9-12-4-5-13(18)8-15(12)17/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1
InChIKeyPZESLODYWMXCOJ-LLVKDONJSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine (CID 78947233) is (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc([C@@H](C)N)c(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is PZESLODYWMXCOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-3-6-14(11(2)19)16(7-10)20-9-12-4-5-13(18)8-15(12)17/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine?
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 78947233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).