2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline

C13H14N2S — CID 79146225

IUPAC2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
SMILESCc1cccc(SCc2ccccn2)c1N
InChIInChI=1S/C13H14N2S/c1-10-5-4-7-12(13(10)14)16-9-11-6-2-3-8-15-11/h2-8H,9,14H2,1H3
InChIKeyWHBGNTLGHVEVPP-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline

2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline (PubChem CID 79146225) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
PubChem CID79146225
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
SMILESCc1cccc(SCc2ccccn2)c1N
InChIInChI=1S/C13H14N2S/c1-10-5-4-7-12(13(10)14)16-9-11-6-2-3-8-15-11/h2-8H,9,14H2,1H3
InChIKeyWHBGNTLGHVEVPP-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79147482
2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 52562461
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146896
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
methyl 6-[(2-amino-3-methylphenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903901
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468560
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
2-methyl-3-[(3-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 112650543
4-fluoro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 79148713
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79146565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline?
The IUPAC name of 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline (CID 79146225) is 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline.
What is the SMILES notation for 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline?
The canonical SMILES for 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline is Cc1cccc(SCc2ccccn2)c1N.
What is the InChIKey of 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline?
The InChIKey is WHBGNTLGHVEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-5-4-7-12(13(10)14)16-9-11-6-2-3-8-15-11/h2-8H,9,14H2,1H3.
What are the key properties of 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline?
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline has a molecular weight of 230.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline is sourced from PubChem (CID 79146225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).