[2-(2-chlorophenyl)-4-fluorophenyl]methanamine

C13H11ClFN — CID 19105315

IUPAC[2-(2-chlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C13H11ClFN/c14-13-4-2-1-3-11(13)12-7-10(15)6-5-9(12)8-16/h1-7H,8,16H2
InChIKeyXBBPNUVWDFDMOB-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.60
Rot. Bonds2

About [2-(2-chlorophenyl)-4-fluorophenyl]methanamine

[2-(2-chlorophenyl)-4-fluorophenyl]methanamine (PubChem CID 19105315) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-4-fluorophenyl]methanamine
PubChem CID19105315
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name[2-(2-chlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C13H11ClFN/c14-13-4-2-1-3-11(13)12-7-10(15)6-5-9(12)8-16/h1-7H,8,16H2
InChIKeyXBBPNUVWDFDMOB-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)-4-fluorophenyl]methanamine (CID 19105315) is [2-(2-chlorophenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1-c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-4-fluorophenyl]methanamine?
The InChIKey is XBBPNUVWDFDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-13-4-2-1-3-11(13)12-7-10(15)6-5-9(12)8-16/h1-7H,8,16H2.
What are the key properties of [2-(2-chlorophenyl)-4-fluorophenyl]methanamine?
[2-(2-chlorophenyl)-4-fluorophenyl]methanamine has a molecular weight of 235.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 19105315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).