(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine

C15H15BrClNO — CID 78944434

IUPAC(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@@H](C)N)cc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-3-5-15(13(17)7-9)19-14-6-4-11(10(2)18)8-12(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeySGHFGZJPOJACJD-SNVBAGLBSA-N
MW340.65 g/mol
LogP5.22
Rot. Bonds3

About (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine

(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine (PubChem CID 78944434) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
PubChem CID78944434
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@@H](C)N)cc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-9-3-5-15(13(17)7-9)19-14-6-4-11(10(2)18)8-12(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeySGHFGZJPOJACJD-SNVBAGLBSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796
1-[3-bromo-4-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 62911397
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982249
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine (CID 78944434) is (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccc([C@@H](C)N)cc2Br)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine?
The InChIKey is SGHFGZJPOJACJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-5-15(13(17)7-9)19-14-6-4-11(10(2)18)8-12(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine has a molecular weight of 340.65 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 78944434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).