N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine

C13H20FNS — CID 43286080

IUPACN-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCC)c(F)c1
InChIInChI=1S/C13H20FNS/c1-4-8-15-10(3)11-6-7-13(16-5-2)12(14)9-11/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyNDYPPZWNEGXJTH-UHFFFAOYSA-N
MW241.37 g/mol
LogP4.00
Rot. Bonds6

About N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine

N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43286080) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
PubChem CID43286080
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC NameN-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCC)c(F)c1
InChIInChI=1S/C13H20FNS/c1-4-8-15-10(3)11-6-7-13(16-5-2)12(14)9-11/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyNDYPPZWNEGXJTH-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
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N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 107780678
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
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N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63533344
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine (CID 43286080) is N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(SCC)c(F)c1.
What is the InChIKey of N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is NDYPPZWNEGXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-4-8-15-10(3)11-6-7-13(16-5-2)12(14)9-11/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).