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

C19H24FNO2S — CID 155119403

IUPAC1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H24FNO2S/c1-15(14-17-5-9-18(20)10-6-17)21-13-3-4-16-7-11-19(12-8-16)24(2,22)23/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyZCOUPETZCLXJJQ-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.38
Rot. Bonds8

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

1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine (PubChem CID 155119403) has the molecular formula C19H24FNO2S and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
PubChem CID155119403
Molecular FormulaC19H24FNO2S
Molecular Weight349.47 g/mol
Exact Mass349.15
IUPAC Name1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H24FNO2S/c1-15(14-17-5-9-18(20)10-6-17)21-13-3-4-16-7-11-19(12-8-16)24(2,22)23/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyZCOUPETZCLXJJQ-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.38
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-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine (CID 155119403) is 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine is CC(Cc1ccc(F)cc1)NCCCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
The InChIKey is ZCOUPETZCLXJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2S/c1-15(14-17-5-9-18(20)10-6-17)21-13-3-4-16-7-11-19(12-8-16)24(2,22)23/h5-12,15,21H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine?
1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine has a molecular weight of 349.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine is sourced from PubChem (CID 155119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).