2-chloro-5-[(2-fluorophenyl)methoxy]aniline

C13H11ClFNO — CID 39355673

IUPAC2-chloro-5-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8,16H2
InChIKeyBBDDATULKGJBTG-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-5-[(2-fluorophenyl)methoxy]aniline

2-chloro-5-[(2-fluorophenyl)methoxy]aniline (PubChem CID 39355673) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[(2-fluorophenyl)methoxy]aniline
PubChem CID39355673
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-chloro-5-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2ccccc2F)ccc1Cl
InChIInChI=1S/C13H11ClFNO/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8,16H2
InChIKeyBBDDATULKGJBTG-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluorophenyl)methoxy]aniline?
The IUPAC name of 2-chloro-5-[(2-fluorophenyl)methoxy]aniline (CID 39355673) is 2-chloro-5-[(2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-5-[(2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 2-chloro-5-[(2-fluorophenyl)methoxy]aniline is Nc1cc(OCc2ccccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-fluorophenyl)methoxy]aniline?
The InChIKey is BBDDATULKGJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-11-6-5-10(7-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7H,8,16H2.
What are the key properties of 2-chloro-5-[(2-fluorophenyl)methoxy]aniline?
2-chloro-5-[(2-fluorophenyl)methoxy]aniline has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 39355673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).