[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine

C13H10Cl2FN — CID 19807615

IUPAC[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
SMILESNCc1c(Cl)cc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H10Cl2FN/c14-9-5-11(12(7-17)13(15)6-9)8-1-3-10(16)4-2-8/h1-6H,7,17H2
InChIKeyMZFCWDYSHIJMON-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.26
Rot. Bonds2

About [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine

[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine (PubChem CID 19807615) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
PubChem CID19807615
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
SMILESNCc1c(Cl)cc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H10Cl2FN/c14-9-5-11(12(7-17)13(15)6-9)8-1-3-10(16)4-2-8/h1-6H,7,17H2
InChIKeyMZFCWDYSHIJMON-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine?
The IUPAC name of [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine (CID 19807615) is [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine.
What is the SMILES notation for [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine?
The canonical SMILES for [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine is NCc1c(Cl)cc(Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine?
The InChIKey is MZFCWDYSHIJMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-9-5-11(12(7-17)13(15)6-9)8-1-3-10(16)4-2-8/h1-6H,7,17H2.
What are the key properties of [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine?
[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine is sourced from PubChem (CID 19807615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).