3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine

C11H17ClN2O — CID 61447035

IUPAC3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCN(CCOC)c1ncccc1CCl
InChIInChI=1S/C11H17ClN2O/c1-3-14(7-8-15-2)11-10(9-12)5-4-6-13-11/h4-6H,3,7-9H2,1-2H3
InChIKeyHOZASWWPZKWADI-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.29
Rot. Bonds6

About 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine

3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 61447035) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID61447035
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCN(CCOC)c1ncccc1CCl
InChIInChI=1S/C11H17ClN2O/c1-3-14(7-8-15-2)11-10(9-12)5-4-6-13-11/h4-6H,3,7-9H2,1-2H3
InChIKeyHOZASWWPZKWADI-UHFFFAOYSA-N
XLogP2.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.29
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 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine (CID 61447035) is 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine is CCN(CCOC)c1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is HOZASWWPZKWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-14(7-8-15-2)11-10(9-12)5-4-6-13-11/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine?
3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 228.72 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 61447035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).