2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine

C15H13Br2ClFN — CID 82779386

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-15(20,12-4-2-10(16)7-14(12)18)8-9-6-11(19)3-5-13(9)17/h2-7H,8,20H2,1H3
InChIKeySLMICEFRMSWKIZ-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.42
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine (PubChem CID 82779386) has the molecular formula C15H13Br2ClFN and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
PubChem CID82779386
Molecular FormulaC15H13Br2ClFN
Molecular Weight421.54 g/mol
Exact Mass418.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13Br2ClFN/c1-15(20,12-4-2-10(16)7-14(12)18)8-9-6-11(19)3-5-13(9)17/h2-7H,8,20H2,1H3
InChIKeySLMICEFRMSWKIZ-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 82780180
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
2-(3-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55187527
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 106761513

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine (CID 82779386) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine is CC(N)(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The InChIKey is SLMICEFRMSWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClFN/c1-15(20,12-4-2-10(16)7-14(12)18)8-9-6-11(19)3-5-13(9)17/h2-7H,8,20H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine has a molecular weight of 421.54 g/mol, XLogP of 5.42, 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-(2-bromo-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82779386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).