6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine

C13H21ClN2O2 — CID 55127649

IUPAC6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
SMILESCCCCOCCOCc1nc(NC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-3-4-7-17-8-9-18-10-12-11(14)5-6-13(15-2)16-12/h5-6H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyDPHDLKYCXJTGDI-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.11
Rot. Bonds9

About 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine

6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine (PubChem CID 55127649) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
PubChem CID55127649
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
SMILESCCCCOCCOCc1nc(NC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-3-4-7-17-8-9-18-10-12-11(14)5-6-13(15-2)16-12/h5-6H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyDPHDLKYCXJTGDI-UHFFFAOYSA-N
XLogP3.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.11
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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Related Compounds

[5-chloro-6-(pentoxymethyl)-2-pyridinyl]hydrazine
CID 62887028
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167
5-chloro-N-ethyl-6-(4-methylpentoxymethyl)pyridin-2-amine
CID 62885644
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
5-chloro-N-methyl-6-(oxolan-3-ylmethoxymethyl)pyridin-2-amine
CID 62884966
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
CID 106449250
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
CID 62885468

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine (CID 55127649) is 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine is CCCCOCCOCc1nc(NC)ccc1Cl.
What is the InChIKey of 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine?
The InChIKey is DPHDLKYCXJTGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-3-4-7-17-8-9-18-10-12-11(14)5-6-13(15-2)16-12/h5-6H,3-4,7-10H2,1-2H3,(H,15,16).
What are the key properties of 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine?
6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine has a molecular weight of 272.78 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 55127649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).