N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine

C15H20N2OS — CID 106908279

IUPACN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCc2cccs2)n1
InChIInChI=1S/C15H20N2OS/c1-2-16-11-13-5-3-6-14(17-13)12-18-9-8-15-7-4-10-19-15/h3-7,10,16H,2,8-9,11-12H2,1H3
InChIKeySYVSAQZNDVZDFT-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.01
Rot. Bonds8

About N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine

N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 106908279) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID106908279
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCc2cccs2)n1
InChIInChI=1S/C15H20N2OS/c1-2-16-11-13-5-3-6-14(17-13)12-18-9-8-15-7-4-10-19-15/h3-7,10,16H,2,8-9,11-12H2,1H3
InChIKeySYVSAQZNDVZDFT-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.01
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-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[[6-[(2-fluorophenyl)methoxymethyl]-2-pyridinyl]methyl]ethanamine
CID 106908363
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine (CID 106908279) is N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(COCCc2cccs2)n1.
What is the InChIKey of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is SYVSAQZNDVZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-16-11-13-5-3-6-14(17-13)12-18-9-8-15-7-4-10-19-15/h3-7,10,16H,2,8-9,11-12H2,1H3.
What are the key properties of N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106908279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).