N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine

C13H23NO2S — CID 65303592

IUPACN-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCc1ccc(CCOCCNCCOC)s1
InChIInChI=1S/C13H23NO2S/c1-3-12-4-5-13(17-12)6-9-16-11-8-14-7-10-15-2/h4-5,14H,3,6-11H2,1-2H3
InChIKeyAKGBUUWOXPVHAC-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.11
Rot. Bonds10

About N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine

N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine (PubChem CID 65303592) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
PubChem CID65303592
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCc1ccc(CCOCCNCCOC)s1
InChIInChI=1S/C13H23NO2S/c1-3-12-4-5-13(17-12)6-9-16-11-8-14-7-10-15-2/h4-5,14H,3,6-11H2,1-2H3
InChIKeyAKGBUUWOXPVHAC-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665679
1-(5-ethylthiophen-2-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591664
N-[2-[2-(5-bromo-4-chlorothiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 80532540
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methoxyethyl)urea
CID 47216290
2,5-diethylthiophene
CID 521294
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine (CID 65303592) is N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine is CCc1ccc(CCOCCNCCOC)s1.
What is the InChIKey of N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine?
The InChIKey is AKGBUUWOXPVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-12-4-5-13(17-12)6-9-16-11-8-14-7-10-15-2/h4-5,14H,3,6-11H2,1-2H3.
What are the key properties of N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine?
N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-ethylthiophen-2-yl)ethoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 65303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).