6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline

C20H25N — CID 63968458

IUPAC6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CCc2ccc3c(c2)CCCN3)c(C)c1
InChIInChI=1S/C20H25N/c1-14-11-15(2)19(16(3)12-14)8-6-17-7-9-20-18(13-17)5-4-10-21-20/h7,9,11-13,21H,4-6,8,10H2,1-3H3
InChIKeyWZQNWXGQVSPZPI-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.76
Rot. Bonds3

About 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline

6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63968458) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63968458
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CCc2ccc3c(c2)CCCN3)c(C)c1
InChIInChI=1S/C20H25N/c1-14-11-15(2)19(16(3)12-14)8-6-17-7-9-20-18(13-17)5-4-10-21-20/h7,9,11-13,21H,4-6,8,10H2,1-3H3
InChIKeyWZQNWXGQVSPZPI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 63968458) is 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c(CCc2ccc3c(c2)CCCN3)c(C)c1.
What is the InChIKey of 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is WZQNWXGQVSPZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-11-15(2)19(16(3)12-14)8-6-17-7-9-20-18(13-17)5-4-10-21-20/h7,9,11-13,21H,4-6,8,10H2,1-3H3.
What are the key properties of 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63968458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).