2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine

C12H19NOS — CID 15915366

IUPAC2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
SMILESCCc1cc(OC)c(CCN)cc1SC
InChIInChI=1S/C12H19NOS/c1-4-9-7-11(14-2)10(5-6-13)8-12(9)15-3/h7-8H,4-6,13H2,1-3H3
InChIKeyNMFLGCDBOWGERA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine (PubChem CID 15915366) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
PubChem CID15915366
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
SMILESCCc1cc(OC)c(CCN)cc1SC
InChIInChI=1S/C12H19NOS/c1-4-9-7-11(14-2)10(5-6-13)8-12(9)15-3/h7-8H,4-6,13H2,1-3H3
InChIKeyNMFLGCDBOWGERA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353833
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[4-(3,3-difluoropropyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534566
3-amino-2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propanoic acid
CID 117426862
2-[4-(2-fluoroethyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534578
4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
CID 117448534
1-[4-(2-aminoethyl)-2,5-dimethoxyphenyl]-2-methylpropan-1-one
CID 171534658
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-cyclopropylsulfanyl-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493482
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353827

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine (CID 15915366) is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine is CCc1cc(OC)c(CCN)cc1SC.
What is the InChIKey of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine?
The InChIKey is NMFLGCDBOWGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-9-7-11(14-2)10(5-6-13)8-12(9)15-3/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine?
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 15915366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).