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

C18H21N — CID 63968254

IUPAC6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CCc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C18H21N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3
InChIKeyLKQZUENUMZEPJD-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.14
Rot. Bonds3

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

6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63968254) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63968254
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(CCc2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C18H21N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3
InChIKeyLKQZUENUMZEPJD-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
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
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
2-[(4-methylphenyl)methylamino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257747
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 63968254) is 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(CCc2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LKQZUENUMZEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3.
What are the key properties of 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63968254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).