N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine

C15H18N2S — CID 55113262

IUPACN-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
SMILESCNc1cc(CSCc2ccccc2C)ccn1
InChIInChI=1S/C15H18N2S/c1-12-5-3-4-6-14(12)11-18-10-13-7-8-17-15(9-13)16-2/h3-9H,10-11H2,1-2H3,(H,16,17)
InChIKeyLSEVURHFHUZLMC-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.87
Rot. Bonds5

About N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine

N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine (PubChem CID 55113262) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
PubChem CID55113262
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
SMILESCNc1cc(CSCc2ccccc2C)ccn1
InChIInChI=1S/C15H18N2S/c1-12-5-3-4-6-14(12)11-18-10-13-7-8-17-15(9-13)16-2/h3-9H,10-11H2,1-2H3,(H,16,17)
InChIKeyLSEVURHFHUZLMC-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
CID 103289825
2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol
CID 66103427
N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
CID 107756511
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 62804634
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
CID 55192429
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 62468749
2-[2-[[2-(methylamino)-4-pyridinyl]methoxy]phenyl]ethanol
CID 107714081
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine (CID 55113262) is N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine is CNc1cc(CSCc2ccccc2C)ccn1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
The InChIKey is LSEVURHFHUZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-12-5-3-4-6-14(12)11-18-10-13-7-8-17-15(9-13)16-2/h3-9H,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine?
N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 55113262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).