N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine

C16H18FNOS — CID 106534180

IUPACN-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2ccccc2OC)c1
InChIInChI=1S/C16H18FNOS/c1-3-18-11-12-8-13(17)10-14(9-12)20-16-7-5-4-6-15(16)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyYTSGIHDZIYTWJU-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.09
Rot. Bonds6

About N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine

N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine (PubChem CID 106534180) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
PubChem CID106534180
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2ccccc2OC)c1
InChIInChI=1S/C16H18FNOS/c1-3-18-11-12-8-13(17)10-14(9-12)20-16-7-5-4-6-15(16)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyYTSGIHDZIYTWJU-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 106533997
3-fluoro-5-(2-methoxyphenyl)sulfanylaniline
CID 61298176
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100
N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]ethanamine
CID 106534223
N-[[3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 106533950
N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106534219
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
N-[[3-[(2-fluorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64621443
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
N-[[3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348431

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine (CID 106534180) is N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine is CCNCc1cc(F)cc(Sc2ccccc2OC)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is YTSGIHDZIYTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-3-18-11-12-8-13(17)10-14(9-12)20-16-7-5-4-6-15(16)19-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine?
N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 291.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 106534180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).