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

C14H22Cl2N2O — CID 55003117

IUPAC5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(8-9-19-3)14-7-6-12(16)13(10-15)17-14/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyOCPLJDRALBYEDV-UHFFFAOYSA-N
MW305.25 g/mol
LogP4.12
Rot. Bonds8

About 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 55003117) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID55003117
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(8-9-19-3)14-7-6-12(16)13(10-15)17-14/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyOCPLJDRALBYEDV-UHFFFAOYSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55052887
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 55004666
[6-[2-methoxyethyl(pentan-3-yl)amino]-2-pyridinyl]methanol
CID 62255181
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
[6-[2-methoxyethyl(pentan-3-yl)amino]-3-pyridinyl]methanol
CID 55002823
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 106890192
5-chloro-6-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 63445506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (CID 55003117) is 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CCOC)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is OCPLJDRALBYEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(8-9-19-3)14-7-6-12(16)13(10-15)17-14/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 305.25 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 55003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).