2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine

C17H20FNS — CID 63819955

IUPAC2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
SMILESCC(C)c1ccc(Sc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C17H20FNS/c1-12(2)13-3-6-16(7-4-13)20-17-8-5-15(18)11-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyKSJMZPJJIGOCBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.60
Rot. Bonds5

About 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine

2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine (PubChem CID 63819955) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
PubChem CID63819955
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
SMILESCC(C)c1ccc(Sc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C17H20FNS/c1-12(2)13-3-6-16(7-4-13)20-17-8-5-15(18)11-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyKSJMZPJJIGOCBN-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(2-aminoethyl)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl]ethanamine
CID 67298155
2-[4-bromo-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63818081
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818759
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836009
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 114065045
2-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63819371
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine (CID 63819955) is 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine is CC(C)c1ccc(Sc2ccc(F)cc2CCN)cc1.
What is the InChIKey of 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine?
The InChIKey is KSJMZPJJIGOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-12(2)13-3-6-16(7-4-13)20-17-8-5-15(18)11-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine?
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63819955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).