5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol

C19H25N3O — CID 794739

IUPAC5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(N(C)C)cc2)c(O)c1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)18-10-7-15(19(23)13-18)14-20-16-8-11-17(12-9-16)21(3)4/h7-14,23H,5-6H2,1-4H3/b20-14+
InChIKeyXCIRRSUVDOJPJO-XSFVSMFZSA-N
MW311.43 g/mol
LogP4.05
Rot. Bonds6

About 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol

5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol (PubChem CID 794739) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol
PubChem CID794739
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(N(C)C)cc2)c(O)c1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)18-10-7-15(19(23)13-18)14-20-16-8-11-17(12-9-16)21(3)4/h7-14,23H,5-6H2,1-4H3/b20-14+
InChIKeyXCIRRSUVDOJPJO-XSFVSMFZSA-N
XLogP4.05
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol (CID 794739) is 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(N(C)C)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol?
The InChIKey is XCIRRSUVDOJPJO-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-22(6-2)18-10-7-15(19(23)13-18)14-20-16-8-11-17(12-9-16)21(3)4/h7-14,23H,5-6H2,1-4H3/b20-14+.
What are the key properties of 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-(dimethylamino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 794739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).