N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine

C16H19NS — CID 115790405

IUPACN-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1cccc(C)c1
InChIInChI=1S/C16H19NS/c1-12-5-4-6-14(11-12)16(17-2)13-7-9-15(18-3)10-8-13/h4-11,16-17H,1-3H3
InChIKeyWGVRHYUCMYTWLF-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine

N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 115790405) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
PubChem CID115790405
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(SC)cc1)c1cccc(C)c1
InChIInChI=1S/C16H19NS/c1-12-5-4-6-14(11-12)16(17-2)13-7-9-15(18-3)10-8-13/h4-11,16-17H,1-3H3
InChIKeyWGVRHYUCMYTWLF-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine (CID 115790405) is N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine is CNC(c1ccc(SC)cc1)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is WGVRHYUCMYTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-5-4-6-14(11-12)16(17-2)13-7-9-15(18-3)10-8-13/h4-11,16-17H,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine?
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115790405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).