5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol

C20H26N2O — CID 830890

IUPAC5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)c(O)c1
InChIInChI=1S/C20H26N2O/c1-6-22(7-2)18-9-8-17(19(23)12-18)13-21-20-15(4)10-14(3)11-16(20)5/h8-13,23H,6-7H2,1-5H3/b21-13+
InChIKeyCOMVRJADXMNKLR-FYJGNVAPSA-N
MW310.44 g/mol
LogP4.91
Rot. Bonds5

About 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol

5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol (PubChem CID 830890) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
PubChem CID830890
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)c(O)c1
InChIInChI=1S/C20H26N2O/c1-6-22(7-2)18-9-8-17(19(23)12-18)13-21-20-15(4)10-14(3)11-16(20)5/h8-13,23H,6-7H2,1-5H3/b21-13+
InChIKeyCOMVRJADXMNKLR-FYJGNVAPSA-N
XLogP4.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
5-(diethylamino)-2-[(E)-(5,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135928970
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135684895
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol (CID 830890) is 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The InChIKey is COMVRJADXMNKLR-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H26N2O/c1-6-22(7-2)18-9-8-17(19(23)12-18)13-21-20-15(4)10-14(3)11-16(20)5/h8-13,23H,6-7H2,1-5H3/b21-13+.
What are the key properties of 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol has a molecular weight of 310.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 830890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).