1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine

C19H23F2NO2S — CID 155119487

IUPAC1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
SMILESCS(=O)(=O)c1ccc(CCCNC(CF)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23F2NO2S/c1-25(23,24)19-10-6-15(7-11-19)3-2-12-22-18(14-20)13-16-4-8-17(21)9-5-16/h4-11,18,22H,2-3,12-14H2,1H3
InChIKeyJZDTWGDYRCBPAD-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.33
Rot. Bonds9

About 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine

1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine (PubChem CID 155119487) has the molecular formula C19H23F2NO2S and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
PubChem CID155119487
Molecular FormulaC19H23F2NO2S
Molecular Weight367.46 g/mol
Exact Mass367.14
IUPAC Name1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
SMILESCS(=O)(=O)c1ccc(CCCNC(CF)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23F2NO2S/c1-25(23,24)19-10-6-15(7-11-19)3-2-12-22-18(14-20)13-16-4-8-17(21)9-5-16/h4-11,18,22H,2-3,12-14H2,1H3
InChIKeyJZDTWGDYRCBPAD-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The IUPAC name of 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine (CID 155119487) is 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine is CS(=O)(=O)c1ccc(CCCNC(CF)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The InChIKey is JZDTWGDYRCBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2S/c1-25(23,24)19-10-6-15(7-11-19)3-2-12-22-18(14-20)13-16-4-8-17(21)9-5-16/h4-11,18,22H,2-3,12-14H2,1H3.
What are the key properties of 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine has a molecular weight of 367.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine is sourced from PubChem (CID 155119487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).