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

C15H16FNO — CID 55088291

IUPAC4-fluoro-N-(2-phenylmethoxyethyl)aniline
SMILESFc1ccc(NCCOCc2ccccc2)cc1
InChIInChI=1S/C15H16FNO/c16-14-6-8-15(9-7-14)17-10-11-18-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyLRKJRLDOUHDESN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.45
Rot. Bonds6

About 4-fluoro-N-(2-phenylmethoxyethyl)aniline

4-fluoro-N-(2-phenylmethoxyethyl)aniline (PubChem CID 55088291) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylmethoxyethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylmethoxyethyl)aniline
PubChem CID55088291
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-N-(2-phenylmethoxyethyl)aniline
SMILESFc1ccc(NCCOCc2ccccc2)cc1
InChIInChI=1S/C15H16FNO/c16-14-6-8-15(9-7-14)17-10-11-18-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyLRKJRLDOUHDESN-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 4-fluoro-N-(2-phenylmethoxyethyl)aniline?
The IUPAC name of 4-fluoro-N-(2-phenylmethoxyethyl)aniline (CID 55088291) is 4-fluoro-N-(2-phenylmethoxyethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-phenylmethoxyethyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-phenylmethoxyethyl)aniline is Fc1ccc(NCCOCc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenylmethoxyethyl)aniline?
The InChIKey is LRKJRLDOUHDESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-6-8-15(9-7-14)17-10-11-18-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of 4-fluoro-N-(2-phenylmethoxyethyl)aniline?
4-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 4-fluoro-N-(2-phenylmethoxyethyl)aniline is sourced from PubChem (CID 55088291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).