2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol

C21H20FNO — CID 67427628

IUPAC2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol
SMILESCN(CCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C21H20FNO/c1-23(14-15-24)19-13-12-18(16-8-4-2-5-9-16)20(21(19)22)17-10-6-3-7-11-17/h2-13,24H,14-15H2,1H3
InChIKeyZBZNPKSKXVVPTH-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.59
Rot. Bonds5

About 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol

2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol (PubChem CID 67427628) has the molecular formula C21H20FNO and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol
PubChem CID67427628
Molecular FormulaC21H20FNO
Molecular Weight321.39 g/mol
Exact Mass321.15
IUPAC Name2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol
SMILESCN(CCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C21H20FNO/c1-23(14-15-24)19-13-12-18(16-8-4-2-5-9-16)20(21(19)22)17-10-6-3-7-11-17/h2-13,24H,14-15H2,1H3
InChIKeyZBZNPKSKXVVPTH-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol?
The IUPAC name of 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol (CID 67427628) is 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol.
What is the SMILES notation for 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol?
The canonical SMILES for 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol is CN(CCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F.
What is the InChIKey of 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol?
The InChIKey is ZBZNPKSKXVVPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-23(14-15-24)19-13-12-18(16-8-4-2-5-9-16)20(21(19)22)17-10-6-3-7-11-17/h2-13,24H,14-15H2,1H3.
What are the key properties of 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol?
2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol has a molecular weight of 321.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methyl-3,4-diphenylanilino)ethanol is sourced from PubChem (CID 67427628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).