2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol

C17H19NO — CID 112616048

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
SMILESCc1cccc(CN2CCCc3ccccc32)c1O
InChIInChI=1S/C17H19NO/c1-13-6-4-8-15(17(13)19)12-18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,19H,5,9,11-12H2,1H3
InChIKeyUFUPETFHCWDZNI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.65
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol (PubChem CID 112616048) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
PubChem CID112616048
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol
SMILESCc1cccc(CN2CCCc3ccccc32)c1O
InChIInChI=1S/C17H19NO/c1-13-6-4-8-15(17(13)19)12-18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,19H,5,9,11-12H2,1H3
InChIKeyUFUPETFHCWDZNI-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-3-methylphenyl)methyl]azepan-2-one
CID 71504914
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62629564
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 62471565
1-(spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethyl)-3,4-dihydro-2H-quinoline
CID 158871670
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol (CID 112616048) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol is Cc1cccc(CN2CCCc3ccccc32)c1O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol?
The InChIKey is UFUPETFHCWDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-6-4-8-15(17(13)19)12-18-11-5-9-14-7-2-3-10-16(14)18/h2-4,6-8,10,19H,5,9,11-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol has a molecular weight of 253.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-methylphenol is sourced from PubChem (CID 112616048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).