2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine

C16H21NOS — CID 55022021

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
SMILESCc1cc(OC(CN)c2cccs2)ccc1C(C)C
InChIInChI=1S/C16H21NOS/c1-11(2)14-7-6-13(9-12(14)3)18-15(10-17)16-5-4-8-19-16/h4-9,11,15H,10,17H2,1-3H3
InChIKeyXSUFOVYTVZJXCK-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine

2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine (PubChem CID 55022021) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
PubChem CID55022021
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
SMILESCc1cc(OC(CN)c2cccs2)ccc1C(C)C
InChIInChI=1S/C16H21NOS/c1-11(2)14-7-6-13(9-12(14)3)18-15(10-17)16-5-4-8-19-16/h4-9,11,15H,10,17H2,1-3H3
InChIKeyXSUFOVYTVZJXCK-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-thiophen-2-ylethanamine
CID 102714299
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479375
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine (CID 55022021) is 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine is Cc1cc(OC(CN)c2cccs2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
The InChIKey is XSUFOVYTVZJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)14-7-6-13(9-12(14)3)18-15(10-17)16-5-4-8-19-16/h4-9,11,15H,10,17H2,1-3H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine?
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 55022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).