(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine

C16H18FNS — CID 55184818

IUPAC(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
SMILESCc1ccccc1CSc1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C16H18FNS/c1-11-6-3-4-7-13(11)10-19-15-9-5-8-14(17)16(15)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyYXPAFFXOXXNPFY-GFCCVEGCSA-N
MW275.39 g/mol
LogP4.45
Rot. Bonds4

About (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine

(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine (PubChem CID 55184818) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
PubChem CID55184818
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
SMILESCc1ccccc1CSc1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C16H18FNS/c1-11-6-3-4-7-13(11)10-19-15-9-5-8-14(17)16(15)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1
InChIKeyYXPAFFXOXXNPFY-GFCCVEGCSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262
1-[3,5-difluoro-4-[(2-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819924
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
1-(2-fluoro-6-pentylsulfanylphenyl)ethanamine
CID 107750658
3-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]sulfanylpropan-1-ol
CID 66114322
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539
1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 3793514
1-[3-methyl-4-[(2-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63820088
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
3-fluoro-2-[(2-methylphenyl)methylsulfanyl]benzaldehyde
CID 114070218
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine (CID 55184818) is (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine is Cc1ccccc1CSc1cccc(F)c1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine?
The InChIKey is YXPAFFXOXXNPFY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-6-3-4-7-13(11)10-19-15-9-5-8-14(17)16(15)12(2)18/h3-9,12H,10,18H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine?
(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 55184818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).