2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline

C19H23N — CID 81224090

IUPAC2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-c3ccc(C(C)C)cc3)ccc2N1
InChIInChI=1S/C19H23N/c1-13(2)15-6-8-16(9-7-15)17-10-11-19-18(12-17)5-4-14(3)20-19/h6-14,20H,4-5H2,1-3H3
InChIKeyJAINHWGYXZTQEK-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.22
Rot. Bonds2

About 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224090) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224090
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-c3ccc(C(C)C)cc3)ccc2N1
InChIInChI=1S/C19H23N/c1-13(2)15-6-8-16(9-7-15)17-10-11-19-18(12-17)5-4-14(3)20-19/h6-14,20H,4-5H2,1-3H3
InChIKeyJAINHWGYXZTQEK-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224090) is 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(-c3ccc(C(C)C)cc3)ccc2N1.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JAINHWGYXZTQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13(2)15-6-8-16(9-7-15)17-10-11-19-18(12-17)5-4-14(3)20-19/h6-14,20H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).