N-methyl-1-(4-methylsulfanylphenyl)methanamine

C9H13NS — CID 2452234

IUPACN-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNCc1ccc(SC)cc1
InChIInChI=1S/C9H13NS/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyYGDVLXUWGVDHAV-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-1-(4-methylsulfanylphenyl)methanamine

N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 2452234) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID2452234
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNCc1ccc(SC)cc1
InChIInChI=1S/C9H13NS/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyYGDVLXUWGVDHAV-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 2452234) is N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)methanamine is CNCc1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is YGDVLXUWGVDHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)methanamine?
N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 2452234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).