3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride

C13H16ClN3O — CID 156692785

IUPAC3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
SMILESCOCc1ccccc1-c1ccc(N)nc1N.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-17-8-9-4-2-3-5-10(9)11-6-7-12(14)16-13(11)15;/h2-7H,8H2,1H3,(H4,14,15,16);1H
InChIKeyALPZHQQDZFHTTH-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.48
Rot. Bonds3

About 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride

3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride (PubChem CID 156692785) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
PubChem CID156692785
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
SMILESCOCc1ccccc1-c1ccc(N)nc1N.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-17-8-9-4-2-3-5-10(9)11-6-7-12(14)16-13(11)15;/h2-7H,8H2,1H3,(H4,14,15,16);1H
InChIKeyALPZHQQDZFHTTH-UHFFFAOYSA-N
XLogP2.48
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methoxymethyl)phenyl]pyrazin-2-amine
CID 112559107
3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
CID 156692790
4-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-amine
CID 162386865
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
CID 139369576
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415
3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
CID 139370357
5-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 46908810

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride?
The IUPAC name of 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride (CID 156692785) is 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride is COCc1ccccc1-c1ccc(N)nc1N.Cl.
What is the InChIKey of 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride?
The InChIKey is ALPZHQQDZFHTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-17-8-9-4-2-3-5-10(9)11-6-7-12(14)16-13(11)15;/h2-7H,8H2,1H3,(H4,14,15,16);1H.
What are the key properties of 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride?
3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 156692785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).