(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine

C15H17NOS — CID 55244815

IUPAC(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccc(Oc2ccccc2[C@@H](C)N)cc1
InChIInChI=1S/C15H17NOS/c1-11(16)14-5-3-4-6-15(14)17-12-7-9-13(18-2)10-8-12/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyAOSWEZPIWAJKDF-LLVKDONJSA-N
MW259.37 g/mol
LogP4.22
Rot. Bonds4

About (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine

(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine (PubChem CID 55244815) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
PubChem CID55244815
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccc(Oc2ccccc2[C@@H](C)N)cc1
InChIInChI=1S/C15H17NOS/c1-11(16)14-5-3-4-6-15(14)17-12-7-9-13(18-2)10-8-12/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyAOSWEZPIWAJKDF-LLVKDONJSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63647836
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
CID 63648489
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
(1R)-1-[2-[(6-pyridin-2-yl-3-pyridinyl)oxy]phenyl]ethanamine
CID 175227124
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine (CID 55244815) is (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine is CSc1ccc(Oc2ccccc2[C@@H](C)N)cc1.
What is the InChIKey of (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine?
The InChIKey is AOSWEZPIWAJKDF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(16)14-5-3-4-6-15(14)17-12-7-9-13(18-2)10-8-12/h3-11H,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine?
(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 55244815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).