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

C13H11ClFNO — CID 62945214

IUPAC[2-chloro-4-(4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H11ClFNO/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7H,8,16H2
InChIKeyDGSJMYQDZZNQHP-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.73
Rot. Bonds3

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

[2-chloro-4-(4-fluorophenoxy)phenyl]methanamine (PubChem CID 62945214) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(4-fluorophenoxy)phenyl]methanamine
PubChem CID62945214
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name[2-chloro-4-(4-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H11ClFNO/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7H,8,16H2
InChIKeyDGSJMYQDZZNQHP-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-chloro-4-(4-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine (CID 62945214) is [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine is NCc1ccc(Oc2ccc(F)cc2)cc1Cl.
What is the InChIKey of [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine?
The InChIKey is DGSJMYQDZZNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-13-7-12(4-1-9(13)8-16)17-11-5-2-10(15)3-6-11/h1-7H,8,16H2.
What are the key properties of [2-chloro-4-(4-fluorophenoxy)phenyl]methanamine?
[2-chloro-4-(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-chloro-4-(4-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 62945214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).