1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine

C17H21NO2S — CID 63648489

IUPAC1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
SMILESCOc1ccccc1C(Oc1ccc(SC)cc1)C(C)N
InChIInChI=1S/C17H21NO2S/c1-12(18)17(15-6-4-5-7-16(15)19-2)20-13-8-10-14(21-3)11-9-13/h4-12,17H,18H2,1-3H3
InChIKeyMWGACRDEPBYXON-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.88
Rot. Bonds6

About 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine

1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine (PubChem CID 63648489) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
PubChem CID63648489
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
SMILESCOc1ccccc1C(Oc1ccc(SC)cc1)C(C)N
InChIInChI=1S/C17H21NO2S/c1-12(18)17(15-6-4-5-7-16(15)19-2)20-13-8-10-14(21-3)11-9-13/h4-12,17H,18H2,1-3H3
InChIKeyMWGACRDEPBYXON-UHFFFAOYSA-N
XLogP3.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244815
1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63647836
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55246155
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine (CID 63648489) is 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine is COc1ccccc1C(Oc1ccc(SC)cc1)C(C)N.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine?
The InChIKey is MWGACRDEPBYXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(18)17(15-6-4-5-7-16(15)19-2)20-13-8-10-14(21-3)11-9-13/h4-12,17H,18H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine?
1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine is sourced from PubChem (CID 63648489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).