6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

C14H23ClN2O — CID 55052887

IUPAC6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1cccc(CCl)n1
InChIInChI=1S/C14H23ClN2O/c1-4-13(5-2)17(9-10-18-3)14-8-6-7-12(11-15)16-14/h6-8,13H,4-5,9-11H2,1-3H3
InChIKeyLYCSHNDOHUWAOD-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.46
Rot. Bonds8

About 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 55052887) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID55052887
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1cccc(CCl)n1
InChIInChI=1S/C14H23ClN2O/c1-4-13(5-2)17(9-10-18-3)14-8-6-7-12(11-15)16-14/h6-8,13H,4-5,9-11H2,1-3H3
InChIKeyLYCSHNDOHUWAOD-UHFFFAOYSA-N
XLogP3.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (CID 55052887) is 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CCOC)c1cccc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is LYCSHNDOHUWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-13(5-2)17(9-10-18-3)14-8-6-7-12(11-15)16-14/h6-8,13H,4-5,9-11H2,1-3H3.
What are the key properties of 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 270.80 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 55052887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).