1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine

C11H16FNS — CID 43286073

IUPAC1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine
SMILESCCSc1cccc(F)c1C(C)NC
InChIInChI=1S/C11H16FNS/c1-4-14-10-7-5-6-9(12)11(10)8(2)13-3/h5-8,13H,4H2,1-3H3
InChIKeyJWRIJNQWNGOWLS-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine

1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine (PubChem CID 43286073) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine
PubChem CID43286073
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine
SMILESCCSc1cccc(F)c1C(C)NC
InChIInChI=1S/C11H16FNS/c1-4-14-10-7-5-6-9(12)11(10)8(2)13-3/h5-8,13H,4H2,1-3H3
InChIKeyJWRIJNQWNGOWLS-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine (CID 43286073) is 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine is CCSc1cccc(F)c1C(C)NC.
What is the InChIKey of 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine?
The InChIKey is JWRIJNQWNGOWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-4-14-10-7-5-6-9(12)11(10)8(2)13-3/h5-8,13H,4H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine?
1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-6-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43286073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).