N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine

C11H17NOS — CID 44613193

IUPACN-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCONC(C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NOS/c1-9(12-13-2)8-10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyBWEGTFZAQIVRFB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.49
Rot. Bonds5

About N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine

N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine (PubChem CID 44613193) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine
PubChem CID44613193
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCONC(C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NOS/c1-9(12-13-2)8-10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKeyBWEGTFZAQIVRFB-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine (CID 44613193) is N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine is CONC(C)Cc1ccc(SC)cc1.
What is the InChIKey of N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is BWEGTFZAQIVRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(12-13-2)8-10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine?
N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 44613193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).