2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane

C11H22N2S — CID 157177077

IUPAC2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
SMILESC.CN.CSc1cc(C)cc(C)c1N
InChIInChI=1S/C9H13NS.CH5N.CH4/c1-6-4-7(2)9(10)8(5-6)11-3;1-2;/h4-5H,10H2,1-3H3;2H2,1H3;1H4
InChIKeyAODCNXVKPKLJBK-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.82
Rot. Bonds1

About 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane

2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane (PubChem CID 157177077) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane.

Molecular Properties

Compound Name2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
PubChem CID157177077
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
SMILESC.CN.CSc1cc(C)cc(C)c1N
InChIInChI=1S/C9H13NS.CH5N.CH4/c1-6-4-7(2)9(10)8(5-6)11-3;1-2;/h4-5H,10H2,1-3H3;2H2,1H3;1H4
InChIKeyAODCNXVKPKLJBK-UHFFFAOYSA-N
XLogP2.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2,4,6-trimethylaniline
CID 159454360
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
6-methyl-4-methylsulfanylpyridazin-3-amine
CID 6410622
2-methanimidoyl-4-methyl-6-methylsulfanylaniline;nitroxyl
CID 164573873
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
3-methyl-6-methylsulfanylbenzene-1,2-diamine
CID 66756534
2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride
CID 19431152
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
4-methyl-2,6-bis(methylsulfanyl)benzene-1,3-diamine;2-methyl-4-methylsulfanylbenzene-1,3-diamine
CID 88506042
2,4-difluoro-6-methylsulfanylaniline
CID 115507618
2,4-dimethyl-6-thionitrosoaniline
CID 123917345

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane?
The IUPAC name of 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane (CID 157177077) is 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane.
What is the SMILES notation for 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane?
The canonical SMILES for 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane is C.CN.CSc1cc(C)cc(C)c1N.
What is the InChIKey of 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane?
The InChIKey is AODCNXVKPKLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.CH5N.CH4/c1-6-4-7(2)9(10)8(5-6)11-3;1-2;/h4-5H,10H2,1-3H3;2H2,1H3;1H4.
What are the key properties of 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane?
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane has a molecular weight of 214.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane is sourced from PubChem (CID 157177077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).