2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline

C11H18N2S — CID 79147132

IUPAC2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline
SMILESCCNCCSc1cccc(C)c1N
InChIInChI=1S/C11H18N2S/c1-3-13-7-8-14-10-6-4-5-9(2)11(10)12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyDJFWHEKXRVKCMN-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline

2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline (PubChem CID 79147132) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline.

Molecular Properties

Compound Name2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline
PubChem CID79147132
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline
SMILESCCNCCSc1cccc(C)c1N
InChIInChI=1S/C11H18N2S/c1-3-13-7-8-14-10-6-4-5-9(2)11(10)12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyDJFWHEKXRVKCMN-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.28
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'}

Analyze 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline?
The IUPAC name of 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline (CID 79147132) is 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline.
What is the SMILES notation for 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline?
The canonical SMILES for 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline is CCNCCSc1cccc(C)c1N.
What is the InChIKey of 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline?
The InChIKey is DJFWHEKXRVKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-13-7-8-14-10-6-4-5-9(2)11(10)12/h4-6,13H,3,7-8,12H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline?
2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline has a molecular weight of 210.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline is sourced from PubChem (CID 79147132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).