N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine

C17H20FNOS — CID 43286255

IUPACN-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1cccc(OC)c1
InChIInChI=1S/C17H20FNOS/c1-4-19-12(2)17-15(18)9-6-10-16(17)21-14-8-5-7-13(11-14)20-3/h5-12,19H,4H2,1-3H3
InChIKeyXCHKYBWVACAMER-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.66
Rot. Bonds6

About N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine

N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine (PubChem CID 43286255) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine
PubChem CID43286255
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1cccc(OC)c1
InChIInChI=1S/C17H20FNOS/c1-4-19-12(2)17-15(18)9-6-10-16(17)21-14-8-5-7-13(11-14)20-3/h5-12,19H,4H2,1-3H3
InChIKeyXCHKYBWVACAMER-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine (CID 43286255) is N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine is CCNC(C)c1c(F)cccc1Sc1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The InChIKey is XCHKYBWVACAMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-4-19-12(2)17-15(18)9-6-10-16(17)21-14-8-5-7-13(11-14)20-3/h5-12,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-6-(3-methoxyphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 43286255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).