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

C18H21N — CID 79234860

IUPAC2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CC2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-13-7-9-15(10-8-13)12-16-11-14(2)19-18-6-4-3-5-17(16)18/h3-10,14,16,19H,11-12H2,1-2H3
InChIKeyYARFNSKYRSADKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.53
Rot. Bonds2

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

2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 79234860) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID79234860
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CC2CC(C)Nc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-13-7-9-15(10-8-13)12-16-11-14(2)19-18-6-4-3-5-17(16)18/h3-10,14,16,19H,11-12H2,1-2H3
InChIKeyYARFNSKYRSADKL-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 79234860) is 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(CC2CC(C)Nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is YARFNSKYRSADKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-7-9-15(10-8-13)12-16-11-14(2)19-18-6-4-3-5-17(16)18/h3-10,14,16,19H,11-12H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79234860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).