1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol

C20H19NO — CID 1284713

IUPAC1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)c(C)c1
InChIInChI=1S/C20H19NO/c1-13-10-14(2)20(15(3)11-13)21-12-18-17-7-5-4-6-16(17)8-9-19(18)22/h4-12,22H,1-3H3/b21-12+
InChIKeyOOAPMJKDWQFKMU-CIAFOILYSA-N
MW289.38 g/mol
LogP5.22
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol

1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 1284713) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID1284713
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)c(C)c1
InChIInChI=1S/C20H19NO/c1-13-10-14(2)20(15(3)11-13)21-12-18-17-7-5-4-6-16(17)8-9-19(18)22/h4-12,22H,1-3H3/b21-12+
InChIKeyOOAPMJKDWQFKMU-CIAFOILYSA-N
XLogP5.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
CID 154426377
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 23015202
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[[3-[[2-hydroxy-6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]-6-[4-(N-phenylanilino)phenyl]naphthalen-2-ol
CID 163519230
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol (CID 1284713) is 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol is Cc1cc(C)c(/N=C/c2c(O)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is OOAPMJKDWQFKMU-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19NO/c1-13-10-14(2)20(15(3)11-13)21-12-18-17-7-5-4-6-16(17)8-9-19(18)22/h4-12,22H,1-3H3/b21-12+.
What are the key properties of 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol?
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 289.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1284713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).