4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C17H18FN — CID 79704094

IUPAC4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)cc(CC2CCNc3ccccc32)c1
InChIInChI=1S/C17H18FN/c1-12-8-13(11-15(18)9-12)10-14-6-7-19-17-5-3-2-4-16(14)17/h2-5,8-9,11,14,19H,6-7,10H2,1H3
InChIKeyLUZVDCWMIJFCNW-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.28
Rot. Bonds2

About 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 79704094) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID79704094
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)cc(CC2CCNc3ccccc32)c1
InChIInChI=1S/C17H18FN/c1-12-8-13(11-15(18)9-12)10-14-6-7-19-17-5-3-2-4-16(14)17/h2-5,8-9,11,14,19H,6-7,10H2,1H3
InChIKeyLUZVDCWMIJFCNW-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(3-fluoro-5-methylphenyl)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-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 79704094) is 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(F)cc(CC2CCNc3ccccc32)c1.
What is the InChIKey of 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LUZVDCWMIJFCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-8-13(11-15(18)9-12)10-14-6-7-19-17-5-3-2-4-16(14)17/h2-5,8-9,11,14,19H,6-7,10H2,1H3.
What are the key properties of 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79704094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).