N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine

C17H21NOS — CID 23378746

IUPACN,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine
SMILESCSc1ccc(Oc2ccc(C)cc2CN(C)C)cc1
InChIInChI=1S/C17H21NOS/c1-13-5-10-17(14(11-13)12-18(2)3)19-15-6-8-16(20-4)9-7-15/h5-11H,12H2,1-4H3
InChIKeyIXKQQWWJUVKHPB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.57
Rot. Bonds5

About N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine

N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine (PubChem CID 23378746) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine
PubChem CID23378746
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine
SMILESCSc1ccc(Oc2ccc(C)cc2CN(C)C)cc1
InChIInChI=1S/C17H21NOS/c1-13-5-10-17(14(11-13)12-18(2)3)19-15-6-8-16(20-4)9-7-15/h5-11H,12H2,1-4H3
InChIKeyIXKQQWWJUVKHPB-UHFFFAOYSA-N
XLogP4.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine (CID 23378746) is N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine is CSc1ccc(Oc2ccc(C)cc2CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine?
The InChIKey is IXKQQWWJUVKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-5-10-17(14(11-13)12-18(2)3)19-15-6-8-16(20-4)9-7-15/h5-11H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine?
N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methyl-2-(4-methylsulfanylphenoxy)phenyl]methanamine is sourced from PubChem (CID 23378746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).