5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C18H21N — CID 106778070

IUPAC5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(Cc2cccc3c2CCCN3)cc1C
InChIInChI=1S/C18H21N/c1-13-8-9-15(11-14(13)2)12-16-5-3-7-18-17(16)6-4-10-19-18/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3
InChIKeySDTPKPGABKDMDH-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.25
Rot. Bonds2

About 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106778070) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106778070
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(Cc2cccc3c2CCCN3)cc1C
InChIInChI=1S/C18H21N/c1-13-8-9-15(11-14(13)2)12-16-5-3-7-18-17(16)6-4-10-19-18/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3
InChIKeySDTPKPGABKDMDH-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
CID 105493478
5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780297
7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106781151
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780063
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 61411757
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
CID 103462222
5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779847

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106778070) is 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(Cc2cccc3c2CCCN3)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SDTPKPGABKDMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-9-15(11-14(13)2)12-16-5-3-7-18-17(16)6-4-10-19-18/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3.
What are the key properties of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).