2-fluoro-N-(2-phenylmethoxyethyl)aniline

C15H16FNO — CID 62565753

IUPAC2-fluoro-N-(2-phenylmethoxyethyl)aniline
SMILESFc1ccccc1NCCOCc1ccccc1
InChIInChI=1S/C15H16FNO/c16-14-8-4-5-9-15(14)17-10-11-18-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyOQMXADRFKWIHSO-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.45
Rot. Bonds6

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

2-fluoro-N-(2-phenylmethoxyethyl)aniline (PubChem CID 62565753) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylmethoxyethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-phenylmethoxyethyl)aniline
PubChem CID62565753
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-N-(2-phenylmethoxyethyl)aniline
SMILESFc1ccccc1NCCOCc1ccccc1
InChIInChI=1S/C15H16FNO/c16-14-8-4-5-9-15(14)17-10-11-18-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKeyOQMXADRFKWIHSO-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenylmethoxyethyl)aniline?
The IUPAC name of 2-fluoro-N-(2-phenylmethoxyethyl)aniline (CID 62565753) is 2-fluoro-N-(2-phenylmethoxyethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-phenylmethoxyethyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-phenylmethoxyethyl)aniline is Fc1ccccc1NCCOCc1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-phenylmethoxyethyl)aniline?
The InChIKey is OQMXADRFKWIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-8-4-5-9-15(14)17-10-11-18-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2.
What are the key properties of 2-fluoro-N-(2-phenylmethoxyethyl)aniline?
2-fluoro-N-(2-phenylmethoxyethyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenylmethoxyethyl)aniline is sourced from PubChem (CID 62565753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).