5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol

C15H25N3O — CID 136879981

IUPAC5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/CCN(C)C)c(O)c1
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14-8-7-13(15(19)11-14)12-16-9-10-17(3)4/h7-8,11-12,19H,5-6,9-10H2,1-4H3/b16-12+
InChIKeyAZROWOWJDRKZEG-FOWTUZBSSA-N
MW263.38 g/mol
LogP2.22
Rot. Bonds7

About 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol

5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol (PubChem CID 136879981) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
PubChem CID136879981
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/CCN(C)C)c(O)c1
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14-8-7-13(15(19)11-14)12-16-9-10-17(3)4/h7-8,11-12,19H,5-6,9-10H2,1-4H3/b16-12+
InChIKeyAZROWOWJDRKZEG-FOWTUZBSSA-N
XLogP2.22
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
5-(diethylamino)-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 135710907
5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135581379
5-(diethylamino)-2-[[(2S)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 155164284
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol
CID 135710898
[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
CID 135829092
5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol (CID 136879981) is 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol is CCN(CC)c1ccc(/C=N/CCN(C)C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol?
The InChIKey is AZROWOWJDRKZEG-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(6-2)14-8-7-13(15(19)11-14)12-16-9-10-17(3)4/h7-8,11-12,19H,5-6,9-10H2,1-4H3/b16-12+.
What are the key properties of 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol?
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 136879981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).