4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine

C11H16FNS — CID 86740885

IUPAC4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine
SMILESCC(C)(N)CCSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-11(2,13)7-8-14-10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyAECDPJPSSOIQIF-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.05
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine

4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine (PubChem CID 86740885) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine
PubChem CID86740885
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine
SMILESCC(C)(N)CCSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-11(2,13)7-8-14-10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyAECDPJPSSOIQIF-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine (CID 86740885) is 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine is CC(C)(N)CCSc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine?
The InChIKey is AECDPJPSSOIQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-11(2,13)7-8-14-10-5-3-9(12)4-6-10/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine?
4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-2-methylbutan-2-amine is sourced from PubChem (CID 86740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).