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

C10H15NS — CID 15754149

IUPAC2-(3-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cccc(C(C)(C)N)c1
InChIInChI=1S/C10H15NS/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,11H2,1-3H3
InChIKeyWSINRSFEOHKJJA-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.60
Rot. Bonds2

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

2-(3-methylsulfanylphenyl)propan-2-amine (PubChem CID 15754149) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(3-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-methylsulfanylphenyl)propan-2-amine
PubChem CID15754149
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(3-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cccc(C(C)(C)N)c1
InChIInChI=1S/C10H15NS/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,11H2,1-3H3
InChIKeyWSINRSFEOHKJJA-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylthio)benzylamine
CID 2760080
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1-(2-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
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US10285989, Example 17
CID 118201808
1-[3-(Methylthio)phenyl]cyclohexylamine
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1-(4-Methylsulfanylphenyl)propylamine
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1-(3-Methylsulfanylphenyl)cyclohexan-1-amine;hydrochloride
CID 45264136
4-(Methylthio)thiobenzamide
CID 3003314
1-(3-(Methylsulfanyl)phenyl)methanamine
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1-[4-(Methylsulfanyl)phenyl]ethan-1-amine hydrochloride
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CID 53484788

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 2-(3-methylsulfanylphenyl)propan-2-amine (CID 15754149) is 2-(3-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-methylsulfanylphenyl)propan-2-amine is CSc1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-(3-methylsulfanylphenyl)propan-2-amine?
The InChIKey is WSINRSFEOHKJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,11)8-5-4-6-9(7-8)12-3/h4-7H,11H2,1-3H3.
What are the key properties of 2-(3-methylsulfanylphenyl)propan-2-amine?
2-(3-methylsulfanylphenyl)propan-2-amine has a molecular weight of 181.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 15754149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).