1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine

C12H21NOS — CID 63992692

IUPAC1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NC(C)c1sccc1C
InChIInChI=1S/C12H21NOS/c1-5-14-8-10(3)13-11(4)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyVKWKECDWPRSYBF-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.13
Rot. Bonds6

About 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine

1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine (PubChem CID 63992692) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
PubChem CID63992692
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NC(C)c1sccc1C
InChIInChI=1S/C12H21NOS/c1-5-14-8-10(3)13-11(4)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyVKWKECDWPRSYBF-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 103486876
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 104866879
2-(diethoxymethyl)-3-methylthiophene
CID 146004797
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine (CID 63992692) is 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine is CCOCC(C)NC(C)c1sccc1C.
What is the InChIKey of 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
The InChIKey is VKWKECDWPRSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-14-8-10(3)13-11(4)12-9(2)6-7-15-12/h6-7,10-11,13H,5,8H2,1-4H3.
What are the key properties of 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine?
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63992692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).