2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride

C8H14ClNOS — CID 17332357

IUPAC2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride
SMILESCOCCNCc1ccsc1.Cl
InChIInChI=1S/C8H13NOS.ClH/c1-10-4-3-9-6-8-2-5-11-7-8;/h2,5,7,9H,3-4,6H2,1H3;1H
InChIKeySEGKXHGSKXFCLN-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.91
Rot. Bonds5

About 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride

2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 17332357) has the molecular formula C8H14ClNOS and a molecular weight of 207.73 g/mol. Its IUPAC name is 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride
PubChem CID17332357
Molecular FormulaC8H14ClNOS
Molecular Weight207.73 g/mol
Exact Mass207.05
IUPAC Name2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride
SMILESCOCCNCc1ccsc1.Cl
InChIInChI=1S/C8H13NOS.ClH/c1-10-4-3-9-6-8-2-5-11-7-8;/h2,5,7,9H,3-4,6H2,1H3;1H
InChIKeySEGKXHGSKXFCLN-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride (CID 17332357) is 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride is COCCNCc1ccsc1.Cl.
What is the InChIKey of 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is SEGKXHGSKXFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS.ClH/c1-10-4-3-9-6-8-2-5-11-7-8;/h2,5,7,9H,3-4,6H2,1H3;1H.
What are the key properties of 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride?
2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(thiophen-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17332357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).