5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine

C13H18N2 — CID 165456625

IUPAC5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCc1cccc(C2=CC(N)CNC2)c1C
InChIInChI=1S/C13H18N2/c1-9-4-3-5-13(10(9)2)11-6-12(14)8-15-7-11/h3-6,12,15H,7-8,14H2,1-2H3
InChIKeyDFCUUBWFTOZBTF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.62
Rot. Bonds1

About 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine

5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165456625) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165456625
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine
SMILESCc1cccc(C2=CC(N)CNC2)c1C
InChIInChI=1S/C13H18N2/c1-9-4-3-5-13(10(9)2)11-6-12(14)8-15-7-11/h3-6,12,15H,7-8,14H2,1-2H3
InChIKeyDFCUUBWFTOZBTF-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine 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 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine (CID 165456625) is 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine is Cc1cccc(C2=CC(N)CNC2)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is DFCUUBWFTOZBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-4-3-5-13(10(9)2)11-6-12(14)8-15-7-11/h3-6,12,15H,7-8,14H2,1-2H3.
What are the key properties of 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine?
5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165456625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).