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

C21H29N3O — CID 692801

IUPAC5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C21H29N3O/c1-5-23(6-2)19-13-10-18(11-14-19)22-16-17-9-12-20(15-21(17)25)24(7-3)8-4/h9-16,25H,5-8H2,1-4H3/b22-16+
InChIKeyLNYQEQXQKKKFCI-CJLVFECKSA-N
MW339.48 g/mol
LogP4.84
Rot. Bonds8

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

5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol (PubChem CID 692801) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
PubChem CID692801
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C21H29N3O/c1-5-23(6-2)19-13-10-18(11-14-19)22-16-17-9-12-20(15-21(17)25)24(7-3)8-4/h9-16,25H,5-8H2,1-4H3/b22-16+
InChIKeyLNYQEQXQKKKFCI-CJLVFECKSA-N
XLogP4.84
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.84
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'}

Analyze 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol (CID 692801) is 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1.
What is the InChIKey of 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The InChIKey is LNYQEQXQKKKFCI-CJLVFECKSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-23(6-2)19-13-10-18(11-14-19)22-16-17-9-12-20(15-21(17)25)24(7-3)8-4/h9-16,25H,5-8H2,1-4H3/b22-16+.
What are the key properties of 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol has a molecular weight of 339.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-(diethylamino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 692801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).