2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine

C15H14Br2ClN — CID 82780088

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClN/c1-15(19,9-10-2-4-11(16)5-3-10)13-7-6-12(17)8-14(13)18/h2-8H,9,19H2,1H3
InChIKeyQBEDJNSPSOMEQK-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.28
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine

2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine (PubChem CID 82780088) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
PubChem CID82780088
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClN/c1-15(19,9-10-2-4-11(16)5-3-10)13-7-6-12(17)8-14(13)18/h2-8H,9,19H2,1H3
InChIKeyQBEDJNSPSOMEQK-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-bromo-2-chlorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 82779632
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 82780180
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine (CID 82780088) is 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine is CC(N)(Cc1ccc(Br)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine?
The InChIKey is QBEDJNSPSOMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-15(19,9-10-2-4-11(16)5-3-10)13-7-6-12(17)8-14(13)18/h2-8H,9,19H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine?
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine has a molecular weight of 403.55 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine is sourced from PubChem (CID 82780088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).