4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C18H21N — CID 63866886

IUPAC4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(CC2CCNc3ccccc32)c1C
InChIInChI=1S/C18H21N/c1-13-6-5-7-15(14(13)2)12-16-10-11-19-18-9-4-3-8-17(16)18/h3-9,16,19H,10-12H2,1-2H3
InChIKeyZSFVKYDCFGLRKO-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.45
Rot. Bonds2

About 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63866886) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63866886
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(CC2CCNc3ccccc32)c1C
InChIInChI=1S/C18H21N/c1-13-6-5-7-15(14(13)2)12-16-10-11-19-18-9-4-3-8-17(16)18/h3-9,16,19H,10-12H2,1-2H3
InChIKeyZSFVKYDCFGLRKO-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline 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 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 63866886) is 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cccc(CC2CCNc3ccccc32)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZSFVKYDCFGLRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-5-7-15(14(13)2)12-16-10-11-19-18-9-4-3-8-17(16)18/h3-9,16,19H,10-12H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63866886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).