3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol

C22H22FNO — CID 67427498

IUPAC3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C22H22FNO/c1-24(15-8-16-25)20-14-13-19(17-9-4-2-5-10-17)21(22(20)23)18-11-6-3-7-12-18/h2-7,9-14,25H,8,15-16H2,1H3
InChIKeyOZRRNMOURLWFGL-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.98
Rot. Bonds6

About 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol

3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol (PubChem CID 67427498) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol
PubChem CID67427498
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F
InChIInChI=1S/C22H22FNO/c1-24(15-8-16-25)20-14-13-19(17-9-4-2-5-10-17)21(22(20)23)18-11-6-3-7-12-18/h2-7,9-14,25H,8,15-16H2,1H3
InChIKeyOZRRNMOURLWFGL-UHFFFAOYSA-N
XLogP4.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol?
The IUPAC name of 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol (CID 67427498) is 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol is CN(CCCO)c1ccc(-c2ccccc2)c(-c2ccccc2)c1F.
What is the InChIKey of 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol?
The InChIKey is OZRRNMOURLWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-24(15-8-16-25)20-14-13-19(17-9-4-2-5-10-17)21(22(20)23)18-11-6-3-7-12-18/h2-7,9-14,25H,8,15-16H2,1H3.
What are the key properties of 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol?
3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol has a molecular weight of 335.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methyl-3,4-diphenylanilino)propan-1-ol is sourced from PubChem (CID 67427498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).