(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

C16H17BrFNO — CID 78936734

IUPAC(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ccc(F)c(Br)c2)c([C@@H](C)N)c1
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-16(13(7-10)11(2)19)20-9-12-4-5-15(18)14(17)8-12/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1
InChIKeyLBQDRZOXGWJGBO-LLVKDONJSA-N
MW338.22 g/mol
LogP4.50
Rot. Bonds4

About (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine

(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 78936734) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
PubChem CID78936734
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
SMILESCc1ccc(OCc2ccc(F)c(Br)c2)c([C@@H](C)N)c1
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-16(13(7-10)11(2)19)20-9-12-4-5-15(18)14(17)8-12/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1
InChIKeyLBQDRZOXGWJGBO-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-[(3-chloro-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 103037859
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
5-[[2-(1-aminoethyl)-4-methylphenoxy]methyl]-2-fluorobenzonitrile
CID 107878947
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-[(3-bromo-4-fluorophenyl)methoxy]-2-tert-butyl-4-methylbenzene
CID 63456690
(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930977
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine (CID 78936734) is (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is Cc1ccc(OCc2ccc(F)c(Br)c2)c([C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is LBQDRZOXGWJGBO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-3-6-16(13(7-10)11(2)19)20-9-12-4-5-15(18)14(17)8-12/h3-8,11H,9,19H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine?
(1R)-1-[2-[(3-bromo-4-fluorophenyl)methoxy]-5-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-[(3-bromo-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 78936734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).