2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol

C11H17NOS — CID 116830495

IUPAC2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
SMILESCCc1ccc(OC)c(C(N)CS)c1
InChIInChI=1S/C11H17NOS/c1-3-8-4-5-11(13-2)9(6-8)10(12)7-14/h4-6,10,14H,3,7,12H2,1-2H3
InChIKeyYSPAEFRKGYHDEA-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol

2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol (PubChem CID 116830495) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
PubChem CID116830495
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
SMILESCCc1ccc(OC)c(C(N)CS)c1
InChIInChI=1S/C11H17NOS/c1-3-8-4-5-11(13-2)9(6-8)10(12)7-14/h4-6,10,14H,3,7,12H2,1-2H3
InChIKeyYSPAEFRKGYHDEA-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.19
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

3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
4-amino-4-(5-ethyl-2-methoxyphenyl)butanenitrile
CID 116940003
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946337
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile
CID 116946182

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol?
The IUPAC name of 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol (CID 116830495) is 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol.
What is the SMILES notation for 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol?
The canonical SMILES for 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol is CCc1ccc(OC)c(C(N)CS)c1.
What is the InChIKey of 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol?
The InChIKey is YSPAEFRKGYHDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-8-4-5-11(13-2)9(6-8)10(12)7-14/h4-6,10,14H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol?
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol has a molecular weight of 211.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol is sourced from PubChem (CID 116830495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).