5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine

C15H18ClN3 — CID 62891300

IUPAC5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)c1ccccc1C
InChIInChI=1S/C15H18ClN3/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3,(H2,17,18)
InChIKeyLJQFDLMDWRJUJT-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.65
Rot. Bonds4

About 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine

5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine (PubChem CID 62891300) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine
PubChem CID62891300
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)c1ccccc1C
InChIInChI=1S/C15H18ClN3/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3,(H2,17,18)
InChIKeyLJQFDLMDWRJUJT-UHFFFAOYSA-N
XLogP3.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine (CID 62891300) is 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine is CCN(Cc1nc(N)ccc1Cl)c1ccccc1C.
What is the InChIKey of 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine?
The InChIKey is LJQFDLMDWRJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine?
5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 62891300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).