1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine

C12H18FNS — CID 43286109

IUPAC1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
SMILESCCCSc1ccc(F)cc1C(C)NC
InChIInChI=1S/C12H18FNS/c1-4-7-15-12-6-5-10(13)8-11(12)9(2)14-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyVDCNIMMHLNZXFN-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.61
Rot. Bonds5

About 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine

1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine (PubChem CID 43286109) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
PubChem CID43286109
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
SMILESCCCSc1ccc(F)cc1C(C)NC
InChIInChI=1S/C12H18FNS/c1-4-7-15-12-6-5-10(13)8-11(12)9(2)14-3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyVDCNIMMHLNZXFN-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63659572
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
1-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 60877704
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 55070494
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine (CID 43286109) is 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine is CCCSc1ccc(F)cc1C(C)NC.
What is the InChIKey of 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine?
The InChIKey is VDCNIMMHLNZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-4-7-15-12-6-5-10(13)8-11(12)9(2)14-3/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine?
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine has a molecular weight of 227.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 43286109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).