N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine

C15H15F2NS — CID 106533997

IUPACN-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2NS/c1-2-18-10-11-7-13(17)9-15(8-11)19-14-5-3-12(16)4-6-14/h3-9,18H,2,10H2,1H3
InChIKeyWNNLIRGUVDMFBA-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.23
Rot. Bonds5

About N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine

N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 106533997) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID106533997
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2ccc(F)cc2)c1
InChIInChI=1S/C15H15F2NS/c1-2-18-10-11-7-13(17)9-15(8-11)19-14-5-3-12(16)4-6-14/h3-9,18H,2,10H2,1H3
InChIKeyWNNLIRGUVDMFBA-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]ethanamine
CID 106534223
N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 106534180
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100
N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106534219
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
N-[[3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 106533950
3-[3-(ethylaminomethyl)-5-fluorophenyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 106534120
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine (CID 106533997) is N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1cc(F)cc(Sc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is WNNLIRGUVDMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-2-18-10-11-7-13(17)9-15(8-11)19-14-5-3-12(16)4-6-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine?
N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 106533997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).