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

C18H21N — CID 106777922

IUPAC3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(C)c(CC2CNc3ccccc3C2)c1
InChIInChI=1S/C18H21N/c1-13-7-8-14(2)17(9-13)11-15-10-16-5-3-4-6-18(16)19-12-15/h3-9,15,19H,10-12H2,1-2H3
InChIKeyWUMOSQFCDRIJOR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.13
Rot. Bonds2

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

3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106777922) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106777922
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(C)c(CC2CNc3ccccc3C2)c1
InChIInChI=1S/C18H21N/c1-13-7-8-14(2)17(9-13)11-15-10-16-5-3-4-6-18(16)19-12-15/h3-9,15,19H,10-12H2,1-2H3
InChIKeyWUMOSQFCDRIJOR-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779930
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
4-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318390
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
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106777922) is 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(C)c(CC2CNc3ccccc3C2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is WUMOSQFCDRIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-7-8-14(2)17(9-13)11-15-10-16-5-3-4-6-18(16)19-12-15/h3-9,15,19H,10-12H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106777922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).