3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine

C13H22ClN3O — CID 62295498

IUPAC3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CC)CCOC)c(Cl)c1
InChIInChI=1S/C13H22ClN3O/c1-4-15-9-11-8-12(14)13(16-10-11)17(5-2)6-7-18-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyICOMTYWAOCIXCP-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.32
Rot. Bonds8

About 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 62295498) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID62295498
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(CC)CCOC)c(Cl)c1
InChIInChI=1S/C13H22ClN3O/c1-4-15-9-11-8-12(14)13(16-10-11)17(5-2)6-7-18-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyICOMTYWAOCIXCP-UHFFFAOYSA-N
XLogP2.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine (CID 62295498) is 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine is CCNCc1cnc(N(CC)CCOC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is ICOMTYWAOCIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-15-9-11-8-12(14)13(16-10-11)17(5-2)6-7-18-3/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine?
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 271.79 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 62295498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).