2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

C16H19NOS — CID 872104

IUPAC2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc(SC)cc1
InChIInChI=1S/C16H19NOS/c1-12-4-9-16(18-2)15(10-12)17-11-13-5-7-14(19-3)8-6-13/h4-10,17H,11H2,1-3H3
InChIKeyFJPXCJWUXUFJQZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.34
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 872104) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID872104
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccc(SC)cc1
InChIInChI=1S/C16H19NOS/c1-12-4-9-16(18-2)15(10-12)17-11-13-5-7-14(19-3)8-6-13/h4-10,17H,11H2,1-3H3
InChIKeyFJPXCJWUXUFJQZ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 872104) is 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is COc1ccc(C)cc1NCc1ccc(SC)cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is FJPXCJWUXUFJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-4-9-16(18-2)15(10-12)17-11-13-5-7-14(19-3)8-6-13/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 273.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 872104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).