5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine

C12H19ClN2O — CID 81234440

IUPAC5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
SMILESCCOCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C12H19ClN2O/c1-4-16-6-5-15(3)12-7-10(2)14-9-11(12)8-13/h7,9H,4-6,8H2,1-3H3
InChIKeyXXYUTMKEGPJMSN-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.60
Rot. Bonds6

About 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine

5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine (PubChem CID 81234440) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
PubChem CID81234440
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
SMILESCCOCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C12H19ClN2O/c1-4-16-6-5-15(3)12-7-10(2)14-9-11(12)8-13/h7,9H,4-6,8H2,1-3H3
InChIKeyXXYUTMKEGPJMSN-UHFFFAOYSA-N
XLogP2.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine (CID 81234440) is 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine is CCOCCN(C)c1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine?
The InChIKey is XXYUTMKEGPJMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-16-6-5-15(3)12-7-10(2)14-9-11(12)8-13/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine?
5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine is sourced from PubChem (CID 81234440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).