(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine

C13H21NO2S — CID 71236355

IUPAC(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCSc1cc(OC)cc(C[C@@H](C)N)c1OC
InChIInChI=1S/C13H21NO2S/c1-5-17-12-8-11(15-3)7-10(6-9(2)14)13(12)16-4/h7-9H,5-6,14H2,1-4H3/t9-/m1/s1
InChIKeyMJMNBZYXOSDSFZ-SECBINFHSA-N
MW255.38 g/mol
LogP2.71
Rot. Bonds6

About (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine

(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 71236355) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID71236355
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
SMILESCCSc1cc(OC)cc(C[C@@H](C)N)c1OC
InChIInChI=1S/C13H21NO2S/c1-5-17-12-8-11(15-3)7-10(6-9(2)14)13(12)16-4/h7-9H,5-6,14H2,1-4H3/t9-/m1/s1
InChIKeyMJMNBZYXOSDSFZ-SECBINFHSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-fluoroethylsulfanyl)-2,5-dimethoxyphenyl]propan-2-amine
CID 71236348
2-(4-bromo-2,5-dimethoxyphenyl)ethanamine;1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
CID 71236329
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453
1-(2,5-dimethoxy-3-methylselanylphenyl)propan-2-amine
CID 89396995
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611
1-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 117402228
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine (CID 71236355) is (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine is CCSc1cc(OC)cc(C[C@@H](C)N)c1OC.
What is the InChIKey of (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is MJMNBZYXOSDSFZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17-12-8-11(15-3)7-10(6-9(2)14)13(12)16-4/h7-9H,5-6,14H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine?
(2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 71236355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).