[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride

C13H15Cl2FN2 — CID 171365578

IUPAC[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCc1cccc(-c2cc(CN)ccn2)c1F.Cl.Cl
InChIInChI=1S/C13H13FN2.2ClH/c1-9-3-2-4-11(13(9)14)12-7-10(8-15)5-6-16-12;;/h2-7H,8,15H2,1H3;2*1H
InChIKeySXWNTORVCZPANW-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.50
Rot. Bonds2

About [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride

[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 171365578) has the molecular formula C13H15Cl2FN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
PubChem CID171365578
Molecular FormulaC13H15Cl2FN2
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCc1cccc(-c2cc(CN)ccn2)c1F.Cl.Cl
InChIInChI=1S/C13H13FN2.2ClH/c1-9-3-2-4-11(13(9)14)12-7-10(8-15)5-6-16-12;;/h2-7H,8,15H2,1H3;2*1H
InChIKeySXWNTORVCZPANW-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2-fluoro-3-methylphenyl)-4-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

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride (CID 171365578) is [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride is Cc1cccc(-c2cc(CN)ccn2)c1F.Cl.Cl.
What is the InChIKey of [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is SXWNTORVCZPANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2.2ClH/c1-9-3-2-4-11(13(9)14)12-7-10(8-15)5-6-16-12;;/h2-7H,8,15H2,1H3;2*1H.
What are the key properties of [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride?
[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 289.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 171365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).