2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol

C21H20FNO — CID 45488857

IUPAC2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C21H20FNO/c22-20-9-6-16(7-10-20)12-13-23-15-19-14-18(8-11-21(19)24)17-4-2-1-3-5-17/h1-11,14,23-24H,12-13,15H2
InChIKeyKDIKUYUQBKRQIC-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.53
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol

2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol (PubChem CID 45488857) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol
PubChem CID45488857
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C21H20FNO/c22-20-9-6-16(7-10-20)12-13-23-15-19-14-18(8-11-21(19)24)17-4-2-1-3-5-17/h1-11,14,23-24H,12-13,15H2
InChIKeyKDIKUYUQBKRQIC-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol?
The IUPAC name of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol (CID 45488857) is 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol?
The InChIKey is KDIKUYUQBKRQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c22-20-9-6-16(7-10-20)12-13-23-15-19-14-18(8-11-21(19)24)17-4-2-1-3-5-17/h1-11,14,23-24H,12-13,15H2.
What are the key properties of 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol?
2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol has a molecular weight of 321.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)ethylamino]methyl]-4-phenylphenol is sourced from PubChem (CID 45488857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).