2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

C21H20FNO — CID 138756786

IUPAC2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
InChIKeyBPPBYUPUAFZCNN-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.95
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 138756786) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
PubChem CID138756786
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
InChIKeyBPPBYUPUAFZCNN-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.95
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-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (CID 138756786) is 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is BPPBYUPUAFZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2.
What are the key properties of 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 321.40 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 138756786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).