2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine

C11H17NOS — CID 117302166

IUPAC2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
SMILESCOc1ccc(SC)cc1C(C)(C)N
InChIInChI=1S/C11H17NOS/c1-11(2,12)9-7-8(14-4)5-6-10(9)13-3/h5-7H,12H2,1-4H3
InChIKeyUPKHZHHXYPWCCX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine

2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine (PubChem CID 117302166) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
PubChem CID117302166
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
SMILESCOc1ccc(SC)cc1C(C)(C)N
InChIInChI=1S/C11H17NOS/c1-11(2,12)9-7-8(14-4)5-6-10(9)13-3/h5-7H,12H2,1-4H3
InChIKeyUPKHZHHXYPWCCX-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-amine
CID 117299291
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
2-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343688
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
2-methoxy-4-methylsulfanylphenol
CID 11423824
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
4-(disulfanyl)-1-methoxy-2-(trifluoromethyl)benzene
CID 123568953

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine (CID 117302166) is 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine is COc1ccc(SC)cc1C(C)(C)N.
What is the InChIKey of 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine?
The InChIKey is UPKHZHHXYPWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,12)9-7-8(14-4)5-6-10(9)13-3/h5-7H,12H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine?
2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117302166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).