6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline

C20H25N — CID 63424137

IUPAC6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1c(C)c(C)c(-c2ccc3c(c2)CCCN3)c(C)c1C
InChIInChI=1S/C20H25N/c1-12-13(2)15(4)20(16(5)14(12)3)18-8-9-19-17(11-18)7-6-10-21-19/h8-9,11,21H,6-7,10H2,1-5H3
InChIKeyVLHYIPNYCHHXCO-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.25
Rot. Bonds1

About 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline

6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63424137) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID63424137
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1c(C)c(C)c(-c2ccc3c(c2)CCCN3)c(C)c1C
InChIInChI=1S/C20H25N/c1-12-13(2)15(4)20(16(5)14(12)3)18-8-9-19-17(11-18)7-6-10-21-19/h8-9,11,21H,6-7,10H2,1-5H3
InChIKeyVLHYIPNYCHHXCO-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
CID 20983466

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline (CID 63424137) is 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline is Cc1c(C)c(C)c(-c2ccc3c(c2)CCCN3)c(C)c1C.
What is the InChIKey of 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VLHYIPNYCHHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-12-13(2)15(4)20(16(5)14(12)3)18-8-9-19-17(11-18)7-6-10-21-19/h8-9,11,21H,6-7,10H2,1-5H3.
What are the key properties of 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline?
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.43 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63424137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).