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

C19H23N — CID 106778280

IUPAC3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CC2CNc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H23N/c1-13-8-14(2)18(15(3)9-13)11-16-10-17-6-4-5-7-19(17)20-12-16/h4-9,16,20H,10-12H2,1-3H3
InChIKeyNQLUXUCUMVBNIU-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.44
Rot. Bonds2

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

3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106778280) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106778280
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(C)c(CC2CNc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H23N/c1-13-8-14(2)18(15(3)9-13)11-16-10-17-6-4-5-7-19(17)20-12-16/h4-9,16,20H,10-12H2,1-3H3
InChIKeyNQLUXUCUMVBNIU-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106777922
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779930
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106778836
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106901956
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106778280) is 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cc(C)c(CC2CNc3ccccc3C2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NQLUXUCUMVBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13-8-14(2)18(15(3)9-13)11-16-10-17-6-4-5-7-19(17)20-12-16/h4-9,16,20H,10-12H2,1-3H3.
What are the key properties of 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).