5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine

C12H20ClN3O — CID 64532990

IUPAC5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(c1cc(Cl)cnc1N)C(C)OCC
InChIInChI=1S/C12H20ClN3O/c1-4-15-11(8(3)17-5-2)10-6-9(13)7-16-12(10)14/h6-8,11,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyUOZINOISWFVLQI-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.39
Rot. Bonds6

About 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine

5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine (PubChem CID 64532990) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
PubChem CID64532990
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
SMILESCCNC(c1cc(Cl)cnc1N)C(C)OCC
InChIInChI=1S/C12H20ClN3O/c1-4-15-11(8(3)17-5-2)10-6-9(13)7-16-12(10)14/h6-8,11,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyUOZINOISWFVLQI-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 64539853
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
5-chloro-3-[ethylamino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65413781
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
CID 65334338
5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
CID 107922698
5-chloro-3-[ethylamino-(3-ethylcyclopentyl)methyl]pyridin-2-amine
CID 65410245
5-chloro-3-[4-methoxy-1-(propylamino)butyl]pyridin-2-amine
CID 65092647
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine (CID 64532990) is 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine is CCNC(c1cc(Cl)cnc1N)C(C)OCC.
What is the InChIKey of 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine?
The InChIKey is UOZINOISWFVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-15-11(8(3)17-5-2)10-6-9(13)7-16-12(10)14/h6-8,11,15H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine?
5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 64532990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).