3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol

C23H24FNO — CID 12549037

IUPAC3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO/c1-25(16-18-8-4-2-5-9-18)17-22(26)23(19-10-6-3-7-11-19)20-12-14-21(24)15-13-20/h2-15,22-23,26H,16-17H2,1H3
InChIKeyFKZDTLIZCQLJNS-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.45
Rot. Bonds7

About 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol

3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol (PubChem CID 12549037) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol
PubChem CID12549037
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO/c1-25(16-18-8-4-2-5-9-18)17-22(26)23(19-10-6-3-7-11-19)20-12-14-21(24)15-13-20/h2-15,22-23,26H,16-17H2,1H3
InChIKeyFKZDTLIZCQLJNS-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol (CID 12549037) is 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol is CN(Cc1ccccc1)CC(O)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The InChIKey is FKZDTLIZCQLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c1-25(16-18-8-4-2-5-9-18)17-22(26)23(19-10-6-3-7-11-19)20-12-14-21(24)15-13-20/h2-15,22-23,26H,16-17H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol has a molecular weight of 349.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).