3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline

C11H18N2S — CID 79144114

IUPAC3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline
SMILESCCNCCSc1cccc(N)c1C
InChIInChI=1S/C11H18N2S/c1-3-13-7-8-14-11-6-4-5-10(12)9(11)2/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyVVUURPMPULFGIB-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.28
Rot. Bonds5

About 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline

3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline (PubChem CID 79144114) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline.

Molecular Properties

Compound Name3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline
PubChem CID79144114
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline
SMILESCCNCCSc1cccc(N)c1C
InChIInChI=1S/C11H18N2S/c1-3-13-7-8-14-11-6-4-5-10(12)9(11)2/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyVVUURPMPULFGIB-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'}

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Related Compounds

2-[2-(ethylamino)ethylsulfanyl]-6-methylaniline
CID 79147132
3-dodecylsulfanyl-2-methylaniline
CID 79128711
4-(3-amino-2-methylphenyl)sulfanyl-2-methylbutan-2-ol
CID 79355067
3-[(4-ethylphenyl)methylsulfanyl]-2-methylaniline
CID 79143941
(3-amino-2-methylphenyl)sulfanylmethyl-trifluoroboranuide
CID 79140677
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-2-methylaniline
CID 79127297
3-but-2-ynylsulfanyl-2-methylaniline
CID 79144504
2-methyl-3-methylsulfanylaniline
CID 18408360
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906
ethane;2-propylsulfanylaniline
CID 143337712
2-methyl-6-[2-(methylamino)ethylsulfanyl]aniline
CID 79147212

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline?
The IUPAC name of 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline (CID 79144114) is 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline.
What is the SMILES notation for 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline?
The canonical SMILES for 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline is CCNCCSc1cccc(N)c1C.
What is the InChIKey of 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline?
The InChIKey is VVUURPMPULFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-13-7-8-14-11-6-4-5-10(12)9(11)2/h4-6,13H,3,7-8,12H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline?
3-[2-(ethylamino)ethylsulfanyl]-2-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 3-[2-(ethylamino)ethylsulfanyl]-2-methylaniline is sourced from PubChem (CID 79144114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).