2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline

C10H16N2S — CID 79147212

IUPAC2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline
SMILESCNCCSc1cccc(C)c1N
InChIInChI=1S/C10H16N2S/c1-8-4-3-5-9(10(8)11)13-7-6-12-2/h3-5,12H,6-7,11H2,1-2H3
InChIKeyHIOREDADLDHEHC-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline

2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline (PubChem CID 79147212) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline
PubChem CID79147212
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline
SMILESCNCCSc1cccc(C)c1N
InChIInChI=1S/C10H16N2S/c1-8-4-3-5-9(10(8)11)13-7-6-12-2/h3-5,12H,6-7,11H2,1-2H3
InChIKeyHIOREDADLDHEHC-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline?
The IUPAC name of 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline (CID 79147212) is 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline?
The canonical SMILES for 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline is CNCCSc1cccc(C)c1N.
What is the InChIKey of 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline?
The InChIKey is HIOREDADLDHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-4-3-5-9(10(8)11)13-7-6-12-2/h3-5,12H,6-7,11H2,1-2H3.
What are the key properties of 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline?
2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline has a molecular weight of 196.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline is sourced from PubChem (CID 79147212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).