4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol

C22H22FNO — CID 141155753

IUPAC4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cc(N)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FNO/c1-14-9-20(24)10-15(2)21(14)13-17-5-8-22(25)18(12-17)11-16-3-6-19(23)7-4-16/h3-10,12,25H,11,13,24H2,1-2H3
InChIKeyOEBUPXIADHOFBS-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.91
Rot. Bonds4

About 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol

4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol (PubChem CID 141155753) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
PubChem CID141155753
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cc(N)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FNO/c1-14-9-20(24)10-15(2)21(14)13-17-5-8-22(25)18(12-17)11-16-3-6-19(23)7-4-16/h3-10,12,25H,11,13,24H2,1-2H3
InChIKeyOEBUPXIADHOFBS-UHFFFAOYSA-N
XLogP4.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol (CID 141155753) is 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol is Cc1cc(N)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The InChIKey is OEBUPXIADHOFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-14-9-20(24)10-15(2)21(14)13-17-5-8-22(25)18(12-17)11-16-3-6-19(23)7-4-16/h3-10,12,25H,11,13,24H2,1-2H3.
What are the key properties of 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol has a molecular weight of 335.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 141155753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).