4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline

C21H20FNO — CID 91569363

IUPAC4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline
SMILESFc1ccc(N(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C21H20FNO/c22-20-11-13-21(14-12-20)23(16-15-18-7-3-1-4-8-18)24-17-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyTXMBRFFRHPQPKU-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.01
Rot. Bonds7

About 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline

4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline (PubChem CID 91569363) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline
PubChem CID91569363
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline
SMILESFc1ccc(N(CCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C21H20FNO/c22-20-11-13-21(14-12-20)23(16-15-18-7-3-1-4-8-18)24-17-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyTXMBRFFRHPQPKU-UHFFFAOYSA-N
XLogP5.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline?
The IUPAC name of 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline (CID 91569363) is 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline.
What is the SMILES notation for 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline?
The canonical SMILES for 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline is Fc1ccc(N(CCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline?
The InChIKey is TXMBRFFRHPQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c22-20-11-13-21(14-12-20)23(16-15-18-7-3-1-4-8-18)24-17-19-9-5-2-6-10-19/h1-14H,15-17H2.
What are the key properties of 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline?
4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline has a molecular weight of 321.40 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline is sourced from PubChem (CID 91569363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).