5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine

C14H23ClN2O2 — CID 106449250

IUPAC5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCCOCC(C)C)n1
InChIInChI=1S/C14H23ClN2O2/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-18-9-11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeySJRCNQXXCAEODJ-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.36
Rot. Bonds9

About 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine

5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine (PubChem CID 106449250) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
PubChem CID106449250
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COCCOCC(C)C)n1
InChIInChI=1S/C14H23ClN2O2/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-18-9-11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeySJRCNQXXCAEODJ-UHFFFAOYSA-N
XLogP3.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.36
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-N-ethyl-6-(4-methylpentoxymethyl)pyridin-2-amine
CID 62885644
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167
6-[(4-bromophenyl)methoxymethyl]-5-chloro-N-ethylpyridin-2-amine
CID 82831291
5-chloro-N-ethyl-6-(1-phenylethoxymethyl)pyridin-2-amine
CID 62885810
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
CID 55127649
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 63485313
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 63484955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine (CID 106449250) is 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine is CCNc1ccc(Cl)c(COCCOCC(C)C)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine?
The InChIKey is SJRCNQXXCAEODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-4-16-14-6-5-12(15)13(17-14)10-19-8-7-18-9-11(2)3/h5-6,11H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine has a molecular weight of 286.80 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine is sourced from PubChem (CID 106449250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).