2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol

C16H16N2O — CID 135770281

IUPAC2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O/c19-16-8-4-3-6-14(16)11-17-18-10-9-13-5-1-2-7-15(13)12-18/h1-8,11,19H,9-10,12H2/b17-11+
InChIKeyGORJFUNDQFUZND-GZTJUZNOSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds2

About 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol

2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol (PubChem CID 135770281) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol
PubChem CID135770281
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCc2ccccc2C1
InChIInChI=1S/C16H16N2O/c19-16-8-4-3-6-14(16)11-17-18-10-9-13-5-1-2-7-15(13)12-18/h1-8,11,19H,9-10,12H2/b17-11+
InChIKeyGORJFUNDQFUZND-GZTJUZNOSA-N
XLogP2.78
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzylidene)-N-methylbenzenecarbothiohydrazide
CID 135446725
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}phenol
CID 135576688
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol
CID 135595416
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-6-(2-hydroxyphenyl)pyridazin-3-one
CID 168270703
Phenol, 4-(((3,4-dihydro-2(1H)-isoquinolinyl)imino)methyl)-
CID 135770280
2-(((4-Benzyl-1-piperazinyl)imino)methyl)-4,6-diiodophenol
CID 135400253
2,4-Diiodo-6-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135421205
2,4-Diiodo-6-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135526874
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-1,3-benzenediol
CID 135603178
2-[(1-Benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol
CID 135908092

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol (CID 135770281) is 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol is Oc1ccccc1/C=N/N1CCc2ccccc2C1.
What is the InChIKey of 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol?
The InChIKey is GORJFUNDQFUZND-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-8-4-3-6-14(16)11-17-18-10-9-13-5-1-2-7-15(13)12-18/h1-8,11,19H,9-10,12H2/b17-11+.
What are the key properties of 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol?
2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol has a molecular weight of 252.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,4-dihydro-1H-isoquinolin-2-yliminomethyl]phenol is sourced from PubChem (CID 135770281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).