N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine

C15H24FNS — CID 62584833

IUPACN-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Sc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-11(2)14(10-17-15(3,4)5)18-13-9-7-6-8-12(13)16/h6-9,11,14,17H,10H2,1-5H3
InChIKeyMBPDKZGCLDTVGD-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.33
Rot. Bonds5

About N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine

N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine (PubChem CID 62584833) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
PubChem CID62584833
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Sc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-11(2)14(10-17-15(3,4)5)18-13-9-7-6-8-12(13)16/h6-9,11,14,17H,10H2,1-5H3
InChIKeyMBPDKZGCLDTVGD-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine (CID 62584833) is N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Sc1ccccc1F.
What is the InChIKey of N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine?
The InChIKey is MBPDKZGCLDTVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-11(2)14(10-17-15(3,4)5)18-13-9-7-6-8-12(13)16/h6-9,11,14,17H,10H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine?
N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine is sourced from PubChem (CID 62584833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).