N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine

C11H16FNS — CID 61024379

IUPACN-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1ccc(SC)c(F)c1
InChIInChI=1S/C11H16FNS/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3
InChIKeyXVZNPKINVRFUHZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.22
Rot. Bonds4

About N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine

N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine (PubChem CID 61024379) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine
PubChem CID61024379
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC NameN-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine
SMILESCCNC(C)c1ccc(SC)c(F)c1
InChIInChI=1S/C11H16FNS/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3
InChIKeyXVZNPKINVRFUHZ-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 N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine (CID 61024379) is N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine is CCNC(C)c1ccc(SC)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The InChIKey is XVZNPKINVRFUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine 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 N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 61024379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).