2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine

C12H21NOS — CID 62597441

IUPAC2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCC(C)(C)OCCNCc1cccs1
InChIInChI=1S/C12H21NOS/c1-4-12(2,3)14-8-7-13-10-11-6-5-9-15-11/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyXWYLBAOPTJITKE-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.04
Rot. Bonds7

About 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62597441) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62597441
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCC(C)(C)OCCNCc1cccs1
InChIInChI=1S/C12H21NOS/c1-4-12(2,3)14-8-7-13-10-11-6-5-9-15-11/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyXWYLBAOPTJITKE-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
N-ethyl-2-methyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62355435
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine (CID 62597441) is 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine is CCC(C)(C)OCCNCc1cccs1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XWYLBAOPTJITKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-12(2,3)14-8-7-13-10-11-6-5-9-15-11/h5-6,9,13H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62597441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).