N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine

C15H24FNS — CID 43286056

IUPACN-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1SC(C)CC
InChIInChI=1S/C15H24FNS/c1-5-10-17-12(4)15-13(16)8-7-9-14(15)18-11(3)6-2/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyKCAYQERLRAPJKR-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.78
Rot. Bonds7

About N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine

N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43286056) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
PubChem CID43286056
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1SC(C)CC
InChIInChI=1S/C15H24FNS/c1-5-10-17-12(4)15-13(16)8-7-9-14(15)18-11(3)6-2/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyKCAYQERLRAPJKR-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine (CID 43286056) is N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1SC(C)CC.
What is the InChIKey of N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is KCAYQERLRAPJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-10-17-12(4)15-13(16)8-7-9-14(15)18-11(3)6-2/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butan-2-ylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).