2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine

C15H13BrClF2N — CID 106761676

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-15(20,8-9-2-4-10(18)5-3-9)11-6-7-12(16)13(17)14(11)19/h2-7H,8,20H2,1H3
InChIKeyQDLHUTOBIBKKPP-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.80
Rot. Bonds3

About 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine

2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 106761676) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
PubChem CID106761676
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-15(20,8-9-2-4-10(18)5-3-9)11-6-7-12(16)13(17)14(11)19/h2-7H,8,20H2,1H3
InChIKeyQDLHUTOBIBKKPP-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833811
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine (CID 106761676) is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine is CC(N)(Cc1ccc(F)cc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is QDLHUTOBIBKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-15(20,8-9-2-4-10(18)5-3-9)11-6-7-12(16)13(17)14(11)19/h2-7H,8,20H2,1H3.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine?
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 360.63 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 106761676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).