Pyridin-4-ylmethanamine dihydrochloride
C₆H₁₀Cl₂N₂·181.060 g/mol·CID 12238841
IUPAC: pyridin-4-ylmethanamine;dihydrochloride
Also known as: 18205-56-6, pyridin-4-ylmethanamine;dihydrochloride, 4-Pyridinemethanamine, hydrochloride (1:2), AGN-PC-0NI77K, 7Z8J6JX86X (+9 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.060g/mol
Exact Mass
180.022104Da
Monoisotopic Mass
180.022104Da
XLogP
—
Polar Surface Area
38.9Ų
Complexity
57
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.1 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₆H₁₀Cl₂N₂
benzene-1,4-diamine;dihydrochloride
CID 12205 · 181.1 g/mol
benzene-1,2-diamine;dihydrochloride
CID 11990 · 181.1 g/mol
benzene-1,3-diamine;dihydrochloride
CID 10941 · 181.1 g/mol
1-(2-chloroethyl)-2-methylimidazole;hydrochloride
CID 117084 · 181.1 g/mol
pyridin-3-ylmethanamine;dihydrochloride
CID 31017 · 181.1 g/mol
4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride
CID 12647304 · 181.1 g/mol
5-(chloromethyl)-1-ethylimidazole;hydrochloride
CID 22938740 · 181.1 g/mol
2-(chloromethyl)-1-ethylimidazole;hydrochloride
CID 47003216 · 181.1 g/mol