N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine

C9H15NOS — CID 82709754

IUPACN-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCONC(C)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-4-11-10-8(3)9-7(2)5-6-12-9/h5-6,8,10H,4H2,1-3H3
InChIKeySXGDPTCQVQPKCR-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.66
Rot. Bonds4

About N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine

N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 82709754) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID82709754
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCONC(C)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-4-11-10-8(3)9-7(2)5-6-12-9/h5-6,8,10H,4H2,1-3H3
InChIKeySXGDPTCQVQPKCR-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
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
2-(diethoxymethyl)-3-methylthiophene
CID 146004797
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
ethyl 4-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991436
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine (CID 82709754) is N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine is CCONC(C)c1sccc1C.
What is the InChIKey of N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is SXGDPTCQVQPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-11-10-8(3)9-7(2)5-6-12-9/h5-6,8,10H,4H2,1-3H3.
What are the key properties of N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine?
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 185.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 82709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).