N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine

C13H14FNS2 — CID 63804996

IUPACN-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Sc2cccs2)c(F)c1
InChIInChI=1S/C13H14FNS2/c1-2-15-9-10-5-6-12(11(14)8-10)17-13-4-3-7-16-13/h3-8,15H,2,9H2,1H3
InChIKeyNZRCIHRTMNGWQR-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.15
Rot. Bonds5

About N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine

N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine (PubChem CID 63804996) has the molecular formula C13H14FNS2 and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
PubChem CID63804996
Molecular FormulaC13H14FNS2
Molecular Weight267.39 g/mol
Exact Mass267.06
IUPAC NameN-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Sc2cccs2)c(F)c1
InChIInChI=1S/C13H14FNS2/c1-2-15-9-10-5-6-12(11(14)8-10)17-13-4-3-7-16-13/h3-8,15H,2,9H2,1H3
InChIKeyNZRCIHRTMNGWQR-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
N-[[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813747
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
2-[4-(ethylaminomethyl)-2-fluorophenyl]sulfanylpyrimidine-4,6-diamine
CID 63813912
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 63808238
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
N-[[3-fluoro-4-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107761505
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159843

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine (CID 63804996) is N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine is CCNCc1ccc(Sc2cccs2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine?
The InChIKey is NZRCIHRTMNGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS2/c1-2-15-9-10-5-6-12(11(14)8-10)17-13-4-3-7-16-13/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine?
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine has a molecular weight of 267.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 63804996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).