[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine

C13H10ClF2N — CID 66159329

IUPAC[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2
InChIKeyNLVQYMMLIVIQEA-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.74
Rot. Bonds2

About [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine

[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine (PubChem CID 66159329) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
PubChem CID66159329
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2
InChIKeyNLVQYMMLIVIQEA-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine (CID 66159329) is [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine is NCc1cc(Cl)ccc1-c1ccc(F)cc1F.
What is the InChIKey of [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine?
The InChIKey is NLVQYMMLIVIQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-9-1-3-11(8(5-9)7-17)12-4-2-10(15)6-13(12)16/h1-6H,7,17H2.
What are the key properties of [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine?
[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine has a molecular weight of 253.68 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine is sourced from PubChem (CID 66159329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).