1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine

C15H14Br2ClNO — CID 63461552

IUPAC1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(Br)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-9(19)15(10-3-2-4-11(16)7-10)20-14-6-5-12(17)8-13(14)18/h2-9,15H,19H2,1H3
InChIKeyBOUGPOQJBOXLTH-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.33
Rot. Bonds4

About 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine

1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine (PubChem CID 63461552) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
PubChem CID63461552
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(Br)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-9(19)15(10-3-2-4-11(16)7-10)20-14-6-5-12(17)8-13(14)18/h2-9,15H,19H2,1H3
InChIKeyBOUGPOQJBOXLTH-UHFFFAOYSA-N
XLogP5.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943
1-(4-bromophenyl)-1-(2,4,5-trichlorophenoxy)propan-2-amine
CID 63456970
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55018053
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
CID 162362054
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine (CID 63461552) is 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine is CC(N)C(Oc1ccc(Br)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine?
The InChIKey is BOUGPOQJBOXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-9(19)15(10-3-2-4-11(16)7-10)20-14-6-5-12(17)8-13(14)18/h2-9,15H,19H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine?
1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine has a molecular weight of 419.54 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine is sourced from PubChem (CID 63461552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).