2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine

C12H21NOS — CID 66234022

IUPAC2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
SMILESCC(C)(C)CCOC(CN)c1cccs1
InChIInChI=1S/C12H21NOS/c1-12(2,3)6-7-14-10(9-13)11-5-4-8-15-11/h4-5,8,10H,6-7,9,13H2,1-3H3
InChIKeyWFBZBFDXVINCGY-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine

2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine (PubChem CID 66234022) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
PubChem CID66234022
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
SMILESCC(C)(C)CCOC(CN)c1cccs1
InChIInChI=1S/C12H21NOS/c1-12(2,3)6-7-14-10(9-13)11-5-4-8-15-11/h4-5,8,10H,6-7,9,13H2,1-3H3
InChIKeyWFBZBFDXVINCGY-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
3,3-dimethylbutyl 2-amino-2-thiophen-2-ylacetate
CID 115285085
2-[(2-fluorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 63932814
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
1-bromo-4-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774507
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine
CID 18354459
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
1-bromo-2-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774524

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine (CID 66234022) is 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine is CC(C)(C)CCOC(CN)c1cccs1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine?
The InChIKey is WFBZBFDXVINCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-12(2,3)6-7-14-10(9-13)11-5-4-8-15-11/h4-5,8,10H,6-7,9,13H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine?
2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 66234022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).