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

C21H20FN — CID 4718985

IUPAC2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20FN/c22-21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,23H,14-16H2
InChIKeyVQXWEQXZGVZPRF-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.82
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine (PubChem CID 4718985) has the molecular formula C21H20FN and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine
PubChem CID4718985
Molecular FormulaC21H20FN
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine
SMILESFc1ccc(CCNCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20FN/c22-21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,23H,14-16H2
InChIKeyVQXWEQXZGVZPRF-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine (CID 4718985) is 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine is Fc1ccc(CCNCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine?
The InChIKey is VQXWEQXZGVZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN/c22-21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,23H,14-16H2.
What are the key properties of 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine has a molecular weight of 305.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 4718985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).