2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine

C14H23NO2S — CID 62905761

IUPAC2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cccs2)CCOCC1
InChIInChI=1S/C14H23NO2S/c1-16-9-6-15-12-14(4-7-17-8-5-14)11-13-3-2-10-18-13/h2-3,10,15H,4-9,11-12H2,1H3
InChIKeyGFVVHAHVBGRDQO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.32
Rot. Bonds7

About 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine

2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62905761) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
PubChem CID62905761
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cccs2)CCOCC1
InChIInChI=1S/C14H23NO2S/c1-16-9-6-15-12-14(4-7-17-8-5-14)11-13-3-2-10-18-13/h2-3,10,15H,4-9,11-12H2,1H3
InChIKeyGFVVHAHVBGRDQO-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.32
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

2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 114933662
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62904892
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
2-methoxy-N-[[3-[(4-methylphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62718692
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine (CID 62905761) is 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine is COCCNCC1(Cc2cccs2)CCOCC1.
What is the InChIKey of 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is GFVVHAHVBGRDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-9-6-15-12-14(4-7-17-8-5-14)11-13-3-2-10-18-13/h2-3,10,15H,4-9,11-12H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine?
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62905761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).