(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine

C12H19NO2S — CID 69397657

IUPAC(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](C)N)c(OC)c1SC
InChIInChI=1S/C12H19NO2S/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3/h5-6,8H,7,13H2,1-4H3/t8-/m1/s1
InChIKeyJSAZVDUERDHQOT-MRVPVSSYSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds5

About (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine

(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine (PubChem CID 69397657) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
PubChem CID69397657
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
SMILESCOc1ccc(C[C@@H](C)N)c(OC)c1SC
InChIInChI=1S/C12H19NO2S/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3/h5-6,8H,7,13H2,1-4H3/t8-/m1/s1
InChIKeyJSAZVDUERDHQOT-MRVPVSSYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 117402228
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
CID 117293594
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
2-amino-2-(2,4-dimethoxy-3-methylsulfanylphenyl)acetic acid
CID 117396441
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine (CID 69397657) is (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine is COc1ccc(C[C@@H](C)N)c(OC)c1SC.
What is the InChIKey of (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine?
The InChIKey is JSAZVDUERDHQOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3/h5-6,8H,7,13H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine?
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 69397657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).