N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine

C15H24FNS — CID 55238086

IUPACN-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNS/c1-6-11(2)18-14-8-7-13(16)9-12(14)10-17-15(3,4)5/h7-9,11,17H,6,10H2,1-5H3
InChIKeyILQLTPJMQGEXLF-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.60
Rot. Bonds5

About N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine

N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 55238086) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID55238086
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Sc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNS/c1-6-11(2)18-14-8-7-13(16)9-12(14)10-17-15(3,4)5/h7-9,11,17H,6,10H2,1-5H3
InChIKeyILQLTPJMQGEXLF-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine (CID 55238086) is N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine is CCC(C)Sc1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ILQLTPJMQGEXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-6-11(2)18-14-8-7-13(16)9-12(14)10-17-15(3,4)5/h7-9,11,17H,6,10H2,1-5H3.
What are the key properties of N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55238086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).