2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine

C12H19NOS — CID 116723225

IUPAC2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(C)s1
InChIInChI=1S/C12H19NOS/c1-3-14-12(9-5-6-9)11(13)10-7-4-8(2)15-10/h4,7,9,11-12H,3,5-6,13H2,1-2H3
InChIKeySVLWZCDQKGMJSA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.87
Rot. Bonds5

About 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine

2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 116723225) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID116723225
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(C)s1
InChIInChI=1S/C12H19NOS/c1-3-14-12(9-5-6-9)11(13)10-7-4-8(2)15-10/h4,7,9,11-12H,3,5-6,13H2,1-2H3
InChIKeySVLWZCDQKGMJSA-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
2-cyclopropyl-2-ethoxy-1-(furan-2-yl)ethanamine
CID 116723060
2-(1-ethoxyethyl)-5-methylthiophene
CID 134421689
2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol
CID 116712529
2-cyclopropyl-N-methyl-2-(5-methylthiophen-2-yl)ethanamine
CID 83831086
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
CID 116723204
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 106654499
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine (CID 116723225) is 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine is CCOC(C1CC1)C(N)c1ccc(C)s1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is SVLWZCDQKGMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-14-12(9-5-6-9)11(13)10-7-4-8(2)15-10/h4,7,9,11-12H,3,5-6,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine?
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 116723225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).