1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine

C11H17NOS — CID 117302169

IUPAC1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
SMILESCOc1c(CC(C)N)cccc1SC
InChIInChI=1S/C11H17NOS/c1-8(12)7-9-5-4-6-10(14-3)11(9)13-2/h4-6,8H,7,12H2,1-3H3
InChIKeyZAJCKWNMMFRPTG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.31
Rot. Bonds4

About 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine

1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine (PubChem CID 117302169) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
PubChem CID117302169
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
SMILESCOc1c(CC(C)N)cccc1SC
InChIInChI=1S/C11H17NOS/c1-8(12)7-9-5-4-6-10(14-3)11(9)13-2/h4-6,8H,7,12H2,1-3H3
InChIKeyZAJCKWNMMFRPTG-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine (CID 117302169) is 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine is COc1c(CC(C)N)cccc1SC.
What is the InChIKey of 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine?
The InChIKey is ZAJCKWNMMFRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(12)7-9-5-4-6-10(14-3)11(9)13-2/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine?
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117302169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).