N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine

C12H19ClN2O2 — CID 62291916

IUPACN-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCCOCC)ccc1Cl
InChIInChI=1S/C12H19ClN2O2/c1-3-14-9-11-10(13)5-6-12(15-11)17-8-7-16-4-2/h5-6,14H,3-4,7-9H2,1-2H3
InChIKeyYSTPLMXNEVNDHN-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.26
Rot. Bonds8

About N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 62291916) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID62291916
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCCOCC)ccc1Cl
InChIInChI=1S/C12H19ClN2O2/c1-3-14-9-11-10(13)5-6-12(15-11)17-8-7-16-4-2/h5-6,14H,3-4,7-9H2,1-2H3
InChIKeyYSTPLMXNEVNDHN-UHFFFAOYSA-N
XLogP2.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine (CID 62291916) is N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(OCCOCC)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is YSTPLMXNEVNDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-3-14-9-11-10(13)5-6-12(15-11)17-8-7-16-4-2/h5-6,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 258.75 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62291916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).