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

C12H19NOS — CID 165123611

IUPAC1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
SMILESCCSc1ccc(CC(C)N)c(OC)c1
InChIInChI=1S/C12H19NOS/c1-4-15-11-6-5-10(7-9(2)13)12(8-11)14-3/h5-6,8-9H,4,7,13H2,1-3H3
InChIKeyXTMYVHDFZUTNGI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.70
Rot. Bonds5

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

1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine (PubChem CID 165123611) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
PubChem CID165123611
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
SMILESCCSc1ccc(CC(C)N)c(OC)c1
InChIInChI=1S/C12H19NOS/c1-4-15-11-6-5-10(7-9(2)13)12(8-11)14-3/h5-6,8-9H,4,7,13H2,1-3H3
InChIKeyXTMYVHDFZUTNGI-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
1-(2,5-dimethoxy-4-pentylsulfanylphenyl)propan-2-amine
CID 11461761
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 10802941

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine (CID 165123611) is 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine is CCSc1ccc(CC(C)N)c(OC)c1.
What is the InChIKey of 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine?
The InChIKey is XTMYVHDFZUTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-15-11-6-5-10(7-9(2)13)12(8-11)14-3/h5-6,8-9H,4,7,13H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine?
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 165123611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).