3-[(2-fluorophenyl)methoxy]aniline

C13H12FNO — CID 6486022

IUPAC3-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C13H12FNO/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-8H,9,15H2
InChIKeyXCZQQCWDSILDHL-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.99
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]aniline

3-[(2-fluorophenyl)methoxy]aniline (PubChem CID 6486022) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]aniline
PubChem CID6486022
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-[(2-fluorophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C13H12FNO/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-8H,9,15H2
InChIKeyXCZQQCWDSILDHL-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.99
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 3-[(2-fluorophenyl)methoxy]aniline?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]aniline (CID 6486022) is 3-[(2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]aniline is Nc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]aniline?
The InChIKey is XCZQQCWDSILDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-8H,9,15H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]aniline?
3-[(2-fluorophenyl)methoxy]aniline has a molecular weight of 217.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 6486022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).