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

C15H15BrClNO — CID 63533796

IUPAC(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
SMILESCc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyVOFRGIIRXLZSGQ-SNVBAGLBSA-N
MW340.65 g/mol
LogP5.22
Rot. Bonds3

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

(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine (PubChem CID 63533796) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
PubChem CID63533796
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
SMILESCc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyVOFRGIIRXLZSGQ-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

Analyze (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1S)-1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 78944343
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
3-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]-4-methylbenzonitrile
CID 107658696

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine (CID 63533796) is (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine is Cc1cc(Br)ccc1Oc1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine?
The InChIKey is VOFRGIIRXLZSGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-7-12(16)4-6-14(9)19-15-5-3-11(10(2)18)8-13(15)17/h3-8,10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine?
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]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-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine is sourced from PubChem (CID 63533796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).