N-(2-methoxyethyl)-2-thiophen-2-ylethanamine

C9H15NOS — CID 28582432

IUPACN-(2-methoxyethyl)-2-thiophen-2-ylethanamine
SMILESCOCCNCCc1cccs1
InChIInChI=1S/C9H15NOS/c1-11-7-6-10-5-4-9-3-2-8-12-9/h2-3,8,10H,4-7H2,1H3
InChIKeyAGHGCIZROKXQTR-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds6

About N-(2-methoxyethyl)-2-thiophen-2-ylethanamine

N-(2-methoxyethyl)-2-thiophen-2-ylethanamine (PubChem CID 28582432) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thiophen-2-ylethanamine
PubChem CID28582432
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-(2-methoxyethyl)-2-thiophen-2-ylethanamine
SMILESCOCCNCCc1cccs1
InChIInChI=1S/C9H15NOS/c1-11-7-6-10-5-4-9-3-2-8-12-9/h2-3,8,10H,4-7H2,1H3
InChIKeyAGHGCIZROKXQTR-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-thiophen-2-ylethanamine (CID 28582432) is N-(2-methoxyethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-thiophen-2-ylethanamine is COCCNCCc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-thiophen-2-ylethanamine?
The InChIKey is AGHGCIZROKXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-11-7-6-10-5-4-9-3-2-8-12-9/h2-3,8,10H,4-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-thiophen-2-ylethanamine?
N-(2-methoxyethyl)-2-thiophen-2-ylethanamine has a molecular weight of 185.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 28582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).