[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine

C13H11ClFNO — CID 63880009

IUPAC[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2
InChIKeyBRZCUPJEUKUHRL-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.73
Rot. Bonds3

About [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine

[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine (PubChem CID 63880009) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine
PubChem CID63880009
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2
InChIKeyBRZCUPJEUKUHRL-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine (CID 63880009) is [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine is NCc1ccccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine?
The InChIKey is BRZCUPJEUKUHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-7-10(5-6-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H,8,16H2.
What are the key properties of [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine?
[2-(3-chloro-4-fluorophenoxy)phenyl]methanamine has a molecular weight of 251.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 63880009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).