[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine

C13H10Cl2FN — CID 134631487

IUPAC[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H,7,17H2
InChIKeyKAAXHJNNAICWMG-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.26
Rot. Bonds2

About [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine

[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine (PubChem CID 134631487) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
PubChem CID134631487
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H,7,17H2
InChIKeyKAAXHJNNAICWMG-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-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine (CID 134631487) is [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine is NCc1cccc(F)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine?
The InChIKey is KAAXHJNNAICWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-10-4-9(5-11(15)6-10)13-8(7-17)2-1-3-12(13)16/h1-6H,7,17H2.
What are the key properties of [2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine?
[2-(3,5-dichlorophenyl)-3-fluorophenyl]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-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 134631487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).