5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine

C13H22ClN3O — CID 114926489

IUPAC5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCCOCCN(CC)c1cc(CNC)c(Cl)cn1
InChIInChI=1S/C13H22ClN3O/c1-4-17(6-7-18-5-2)13-8-11(9-15-3)12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3
InChIKeyPBKPULUQEURLSG-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.32
Rot. Bonds8

About 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine

5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 114926489) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID114926489
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCCOCCN(CC)c1cc(CNC)c(Cl)cn1
InChIInChI=1S/C13H22ClN3O/c1-4-17(6-7-18-5-2)13-8-11(9-15-3)12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3
InChIKeyPBKPULUQEURLSG-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

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 114926488
5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114925871
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
N-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine (CID 114926489) is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine is CCOCCN(CC)c1cc(CNC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is PBKPULUQEURLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-17(6-7-18-5-2)13-8-11(9-15-3)12(14)10-16-13/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)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 5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114926489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).