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

C11H18ClN3O — CID 64539853

IUPAC5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
SMILESCCOC(C)C(NC)c1cc(Cl)cnc1N
InChIInChI=1S/C11H18ClN3O/c1-4-16-7(2)10(14-3)9-5-8(12)6-15-11(9)13/h5-7,10,14H,4H2,1-3H3,(H2,13,15)
InChIKeyDXXFIMGVXWPUNN-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.00
Rot. Bonds5

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

5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine (PubChem CID 64539853) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
PubChem CID64539853
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
SMILESCCOC(C)C(NC)c1cc(Cl)cnc1N
InChIInChI=1S/C11H18ClN3O/c1-4-16-7(2)10(14-3)9-5-8(12)6-15-11(9)13/h5-7,10,14H,4H2,1-3H3,(H2,13,15)
InChIKeyDXXFIMGVXWPUNN-UHFFFAOYSA-N
XLogP2.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[2-ethoxy-1-(ethylamino)propyl]pyridin-2-amine
CID 64532990
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79068671
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
5-chloro-3-[2-methoxy-2-methyl-1-(methylamino)propyl]pyridin-2-amine
CID 79198131
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
1-(2-amino-5-chloro-3-pyridinyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346692
5-chloro-3-(1-hydrazinyl-2-methoxy-2-methylbutyl)pyridin-2-amine
CID 105274490
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021
2-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 64532781
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 79052761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine (CID 64539853) is 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine is CCOC(C)C(NC)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
The InChIKey is DXXFIMGVXWPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-16-7(2)10(14-3)9-5-8(12)6-15-11(9)13/h5-7,10,14H,4H2,1-3H3,(H2,13,15).
What are the key properties of 5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine?
5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.00, 5 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-(methylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 64539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).