(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine

C15H16BrNO — CID 78938448

IUPAC(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H16BrNO/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m1/s1
InChIKeyWEXUDXXHZFWXLR-LLVKDONJSA-N
MW306.20 g/mol
LogP4.57
Rot. Bonds3

About (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine

(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine (PubChem CID 78938448) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
PubChem CID78938448
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1
InChIInChI=1S/C15H16BrNO/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m1/s1
InChIKeyWEXUDXXHZFWXLR-LLVKDONJSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
3-(4-bromo-2-methylphenoxy)-5-propan-2-yloxyaniline
CID 80749146
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine (CID 78938448) is (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine is Cc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine?
The InChIKey is WEXUDXXHZFWXLR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-9-13(16)5-8-15(10)18-14-6-3-12(4-7-14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine?
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine has a molecular weight of 306.20 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 78938448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).