1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol

C19H23F2NO — CID 123338706

IUPAC1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol
SMILESOC(CF)(CF)CNCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23F2NO/c20-13-19(23,14-21)15-22-12-4-5-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,22-23H,4-5,12-15H2
InChIKeySNEZESUXSPAEBW-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.55
Rot. Bonds9

About 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol

1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol (PubChem CID 123338706) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol
PubChem CID123338706
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC Name1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol
SMILESOC(CF)(CF)CNCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23F2NO/c20-13-19(23,14-21)15-22-12-4-5-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,22-23H,4-5,12-15H2
InChIKeySNEZESUXSPAEBW-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((3,3-Diphenylpropyl)(methyl)amino)-2-methyl-2-propanol
CID 10851563
US11214540, Example 12
CID 157586328
1-[([1,1'-Biphenyl]-4-ylmethyl)amino]-2-propanol
CID 2980424
2-[(4-Phenylphenyl)methylamino]ethanol
CID 1814885
1-[(4-Phenylphenyl)methylamino]propan-2-ol
CID 2980425
N-methyl-3-phenyl-4-(4-trifluoromethylphenyl)butanamine
CID 15132275
4-(3-Fluoro-4-phenylphenyl)-1,2,3,6-tetrahydropyridine
CID 18379628
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
N-methyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 20067839
3-(4-ethylphenyl)-N-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 20067890
N-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 20067916
3-[4-(4-fluorophenyl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 20302088

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol (CID 123338706) is 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol is OC(CF)(CF)CNCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol?
The InChIKey is SNEZESUXSPAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c20-13-19(23,14-21)15-22-12-4-5-16-8-10-18(11-9-16)17-6-2-1-3-7-17/h1-3,6-11,22-23H,4-5,12-15H2.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol?
1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol has a molecular weight of 319.39 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3-[3-(4-phenylphenyl)propylamino]propan-2-ol is sourced from PubChem (CID 123338706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).