2-fluoro-N-(2-phenylethoxy)aniline

C14H14FNO — CID 87170394

IUPAC2-fluoro-N-(2-phenylethoxy)aniline
SMILESFc1ccccc1NOCCc1ccccc1
InChIInChI=1S/C14H14FNO/c15-13-8-4-5-9-14(13)16-17-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyTUZKDJWAAWPIJV-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.41
Rot. Bonds5

About 2-fluoro-N-(2-phenylethoxy)aniline

2-fluoro-N-(2-phenylethoxy)aniline (PubChem CID 87170394) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylethoxy)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-phenylethoxy)aniline
PubChem CID87170394
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-fluoro-N-(2-phenylethoxy)aniline
SMILESFc1ccccc1NOCCc1ccccc1
InChIInChI=1S/C14H14FNO/c15-13-8-4-5-9-14(13)16-17-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyTUZKDJWAAWPIJV-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(2-phenylethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenylethoxy)aniline?
The IUPAC name of 2-fluoro-N-(2-phenylethoxy)aniline (CID 87170394) is 2-fluoro-N-(2-phenylethoxy)aniline.
What is the SMILES notation for 2-fluoro-N-(2-phenylethoxy)aniline?
The canonical SMILES for 2-fluoro-N-(2-phenylethoxy)aniline is Fc1ccccc1NOCCc1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-phenylethoxy)aniline?
The InChIKey is TUZKDJWAAWPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-13-8-4-5-9-14(13)16-17-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of 2-fluoro-N-(2-phenylethoxy)aniline?
2-fluoro-N-(2-phenylethoxy)aniline has a molecular weight of 231.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenylethoxy)aniline is sourced from PubChem (CID 87170394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).