1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

C16H19NOS — CID 738580

IUPAC1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyJJULWJLJSJYAMA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (PubChem CID 738580) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
PubChem CID738580
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H19NOS/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyJJULWJLJSJYAMA-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (CID 738580) is 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is COc1ccc(CNCc2ccc(SC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The InChIKey is JJULWJLJSJYAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is sourced from PubChem (CID 738580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).