N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine

C14H19NO2S — CID 62486002

IUPACN-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCCc2cccs2)c1
InChIInChI=1S/C14H19NO2S/c1-2-15-9-12-8-13(17-10-12)11-16-6-5-14-4-3-7-18-14/h3-4,7-8,10,15H,2,5-6,9,11H2,1H3
InChIKeyICAPAVJMXXBNTN-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.21
Rot. Bonds8

About N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine

N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 62486002) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID62486002
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(COCCc2cccs2)c1
InChIInChI=1S/C14H19NO2S/c1-2-15-9-12-8-13(17-10-12)11-16-6-5-14-4-3-7-18-14/h3-4,7-8,10,15H,2,5-6,9,11H2,1H3
InChIKeyICAPAVJMXXBNTN-UHFFFAOYSA-N
XLogP3.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.21
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

N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 66227074
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
CID 62268855
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]ethanamine
CID 114470778
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
N-[[5-[(3-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82832395
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine (CID 62486002) is N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine is CCNCc1coc(COCCc2cccs2)c1.
What is the InChIKey of N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is ICAPAVJMXXBNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-15-9-12-8-13(17-10-12)11-16-6-5-14-4-3-7-18-14/h3-4,7-8,10,15H,2,5-6,9,11H2,1H3.
What are the key properties of N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine?
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62486002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).