2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine

C13H21NO2S — CID 79365945

IUPAC2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
SMILESCOCCNCC1CCCOC1c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-15-7-5-14-9-11-3-2-6-16-13(11)12-4-8-17-10-12/h4,8,10-11,13-14H,2-3,5-7,9H2,1H3
InChIKeyOYTDGGXJSVOCFP-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.45
Rot. Bonds6

About 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine

2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine (PubChem CID 79365945) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
PubChem CID79365945
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
SMILESCOCCNCC1CCCOC1c1ccsc1
InChIInChI=1S/C13H21NO2S/c1-15-7-5-14-9-11-3-2-6-16-13(11)12-4-8-17-10-12/h4,8,10-11,13-14H,2-3,5-7,9H2,1H3
InChIKeyOYTDGGXJSVOCFP-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]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-[[2-(3,4-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365759
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670
2-methoxy-N-[[2-(5-methylthiophen-2-yl)oxan-3-yl]methyl]ethanamine
CID 79365128
N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400
N-[[2-(3-chloro-4-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 81156218
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943
N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365852
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(4-chloro-2-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 114867635
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 81442199

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine (CID 79365945) is 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine is COCCNCC1CCCOC1c1ccsc1.
What is the InChIKey of 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine?
The InChIKey is OYTDGGXJSVOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-15-7-5-14-9-11-3-2-6-16-13(11)12-4-8-17-10-12/h4,8,10-11,13-14H,2-3,5-7,9H2,1H3.
What are the key properties of 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine?
2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79365945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).