4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol

C17H19NO — CID 3905059

IUPAC4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCc1ccc(/N=C/c2cc(C)c(O)c(C)c2)c(C)c1
InChIInChI=1S/C17H19NO/c1-11-5-6-16(12(2)7-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-10,19H,1-4H3/b18-10+
InChIKeyGVCQYRSQNJBKJB-VCHYOVAHSA-N
MW253.34 g/mol
LogP4.38
Rot. Bonds2

About 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol

4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol (PubChem CID 3905059) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
PubChem CID3905059
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCc1ccc(/N=C/c2cc(C)c(O)c(C)c2)c(C)c1
InChIInChI=1S/C17H19NO/c1-11-5-6-16(12(2)7-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-10,19H,1-4H3/b18-10+
InChIKeyGVCQYRSQNJBKJB-VCHYOVAHSA-N
XLogP4.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.38
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

4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
methyl 4-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-methylbenzoate
CID 3955104
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
2-[(2,4-dimethylphenyl)iminomethyl]-6-methyl-4-nitrophenol
CID 902425
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853689
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3535730
N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
CID 779006
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol (CID 3905059) is 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol is Cc1ccc(/N=C/c2cc(C)c(O)c(C)c2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol?
The InChIKey is GVCQYRSQNJBKJB-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-6-16(12(2)7-11)18-10-15-8-13(3)17(19)14(4)9-15/h5-10,19H,1-4H3/b18-10+.
What are the key properties of 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol?
4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol has a molecular weight of 253.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol is sourced from PubChem (CID 3905059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).