2-(5-ethyl-2-methoxyanilino)ethanethiol

C11H17NOS — CID 115223657

IUPAC2-(5-ethyl-2-methoxyanilino)ethanethiol
SMILESCCc1ccc(OC)c(NCCS)c1
InChIInChI=1S/C11H17NOS/c1-3-9-4-5-11(13-2)10(8-9)12-6-7-14/h4-5,8,12,14H,3,6-7H2,1-2H3
InChIKeyUCRLYOOMARKNTB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.60
Rot. Bonds5

About 2-(5-ethyl-2-methoxyanilino)ethanethiol

2-(5-ethyl-2-methoxyanilino)ethanethiol (PubChem CID 115223657) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxyanilino)ethanethiol.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxyanilino)ethanethiol
PubChem CID115223657
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(5-ethyl-2-methoxyanilino)ethanethiol
SMILESCCc1ccc(OC)c(NCCS)c1
InChIInChI=1S/C11H17NOS/c1-3-9-4-5-11(13-2)10(8-9)12-6-7-14/h4-5,8,12,14H,3,6-7H2,1-2H3
InChIKeyUCRLYOOMARKNTB-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
3-(5-tert-butyl-2-methoxyanilino)propane-1-thiol
CID 115224564
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269
2-(2,5-dimethoxyanilino)ethyl-[(4-ethylphenyl)methyl]-dimethylazanium chloride
CID 23460356

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxyanilino)ethanethiol?
The IUPAC name of 2-(5-ethyl-2-methoxyanilino)ethanethiol (CID 115223657) is 2-(5-ethyl-2-methoxyanilino)ethanethiol.
What is the SMILES notation for 2-(5-ethyl-2-methoxyanilino)ethanethiol?
The canonical SMILES for 2-(5-ethyl-2-methoxyanilino)ethanethiol is CCc1ccc(OC)c(NCCS)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxyanilino)ethanethiol?
The InChIKey is UCRLYOOMARKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-9-4-5-11(13-2)10(8-9)12-6-7-14/h4-5,8,12,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methoxyanilino)ethanethiol?
2-(5-ethyl-2-methoxyanilino)ethanethiol has a molecular weight of 211.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxyanilino)ethanethiol is sourced from PubChem (CID 115223657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).