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

C10H17NO2S — CID 82712468

IUPACN-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOCCONC(C)c1sccc1C
InChIInChI=1S/C10H17NO2S/c1-8-4-7-14-10(8)9(2)11-13-6-5-12-3/h4,7,9,11H,5-6H2,1-3H3
InChIKeyKOVJQXUSSRJLNX-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.29
Rot. Bonds6

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

N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 82712468) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID82712468
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOCCONC(C)c1sccc1C
InChIInChI=1S/C10H17NO2S/c1-8-4-7-14-10(8)9(2)11-13-6-5-12-3/h4,7,9,11H,5-6H2,1-3H3
InChIKeyKOVJQXUSSRJLNX-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine (CID 82712468) is N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine is COCCONC(C)c1sccc1C.
What is the InChIKey of N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is KOVJQXUSSRJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8-4-7-14-10(8)9(2)11-13-6-5-12-3/h4,7,9,11H,5-6H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine?
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 215.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 82712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).