1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

C16H17N — CID 14548159

IUPAC1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C2NCCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
InChIKeyOMRKUZDQUXNJDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.23
Rot. Bonds1

About 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 14548159) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID14548159
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C2NCCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3
InChIKeyOMRKUZDQUXNJDA-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline 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 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 14548159) is 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(C2NCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OMRKUZDQUXNJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 14548159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).