2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine

C13H23NO2S — CID 112587173

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)OCCOC(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-10-5-6-12(17-10)11(9-14)15-7-8-16-13(2,3)4/h5-6,11H,7-9,14H2,1-4H3
InChIKeyQPDHNFRUXYGZTE-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 112587173) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID112587173
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)OCCOC(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-10-5-6-12(17-10)11(9-14)15-7-8-16-13(2,3)4/h5-6,11H,7-9,14H2,1-4H3
InChIKeyQPDHNFRUXYGZTE-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
2-[1-(6-bromohexoxy)propyl]-5-methylthiophene
CID 19996078
2-cyclobutyloxy-2-(5-methylthiophen-2-yl)ethanamine
CID 62115241
2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 83133681
2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 65204033
2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
CID 66234022
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 63986148
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 63461400
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
2-(1-ethoxyethyl)-5-methylthiophene
CID 134421689
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 103031795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine (CID 112587173) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)OCCOC(C)(C)C)s1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is QPDHNFRUXYGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-10-5-6-12(17-10)11(9-14)15-7-8-16-13(2,3)4/h5-6,11H,7-9,14H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 112587173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).