1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine

C15H24FNOS — CID 115721013

IUPAC1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
SMILESCCCCC(NCCCS(C)=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FNOS/c1-3-4-6-15(17-11-5-12-19(2)18)13-7-9-14(16)10-8-13/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyGEYAYYBCZBXBAV-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.42
Rot. Bonds9

About 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine

1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine (PubChem CID 115721013) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
PubChem CID115721013
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
SMILESCCCCC(NCCCS(C)=O)c1ccc(F)cc1
InChIInChI=1S/C15H24FNOS/c1-3-4-6-15(17-11-5-12-19(2)18)13-7-9-14(16)10-8-13/h7-10,15,17H,3-6,11-12H2,1-2H3
InChIKeyGEYAYYBCZBXBAV-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine (CID 115721013) is 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine is CCCCC(NCCCS(C)=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine?
The InChIKey is GEYAYYBCZBXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-3-4-6-15(17-11-5-12-19(2)18)13-7-9-14(16)10-8-13/h7-10,15,17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine?
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine is sourced from PubChem (CID 115721013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).