5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine

C15H24FNS — CID 113474165

IUPAC5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCSCCCC(CNC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNS/c1-3-18-10-4-5-14(12-17-2)11-13-6-8-15(16)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyUFRWLGCXRZXNEH-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.74
Rot. Bonds9

About 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine

5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine (PubChem CID 113474165) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
PubChem CID113474165
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCSCCCC(CNC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNS/c1-3-18-10-4-5-14(12-17-2)11-13-6-8-15(16)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyUFRWLGCXRZXNEH-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.74
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

2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine (CID 113474165) is 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine is CCSCCCC(CNC)Cc1ccc(F)cc1.
What is the InChIKey of 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is UFRWLGCXRZXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-3-18-10-4-5-14(12-17-2)11-13-6-8-15(16)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine?
5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 113474165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).