[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride

C13H16Cl2N2O — CID 171365623

IUPAC[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCOc1ccccc1-c1cncc(CN)c1.Cl.Cl
InChIInChI=1S/C13H14N2O.2ClH/c1-16-13-5-3-2-4-12(13)11-6-10(7-14)8-15-9-11;;/h2-6,8-9H,7,14H2,1H3;2*1H
InChIKeyKFBJZUJDSLXVEO-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.06
Rot. Bonds3

About [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride

[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride (PubChem CID 171365623) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
PubChem CID171365623
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCOc1ccccc1-c1cncc(CN)c1.Cl.Cl
InChIInChI=1S/C13H14N2O.2ClH/c1-16-13-5-3-2-4-12(13)11-6-10(7-14)8-15-9-11;;/h2-6,8-9H,7,14H2,1H3;2*1H
InChIKeyKFBJZUJDSLXVEO-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
CID 113469771
3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542720
3-(2-methoxyphenyl)pyridine
CID 4133297
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66520273
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
[2-amino-5-(2-methoxyphenyl)-3-pyridinyl]methanol
CID 115037715
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
(5-pyridin-4-yl-3-pyridinyl)methanamine
CID 71301604
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine
CID 141416071
3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine
CID 143596387

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride (CID 171365623) is [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride is COc1ccccc1-c1cncc(CN)c1.Cl.Cl.
What is the InChIKey of [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride?
The InChIKey is KFBJZUJDSLXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.2ClH/c1-16-13-5-3-2-4-12(13)11-6-10(7-14)8-15-9-11;;/h2-6,8-9H,7,14H2,1H3;2*1H.
What are the key properties of [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride?
[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 171365623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).