(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine

C13H10BrClFN — CID 24697243

IUPAC(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H10BrClFN/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7,13H,17H2
InChIKeyREKLQWDPVSXILH-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine

(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine (PubChem CID 24697243) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
PubChem CID24697243
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H10BrClFN/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7,13H,17H2
InChIKeyREKLQWDPVSXILH-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine (CID 24697243) is (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine?
The InChIKey is REKLQWDPVSXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7,13H,17H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine?
(4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine has a molecular weight of 314.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 24697243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).