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

C18H20F2N2O2 — CID 135774334

IUPAC5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC(F)F)cc2)c(O)c1
InChIInChI=1S/C18H20F2N2O2/c1-3-22(4-2)15-8-5-13(17(23)11-15)12-21-14-6-9-16(10-7-14)24-18(19)20/h5-12,18,23H,3-4H2,1-2H3/b21-12+
InChIKeyUBNQHXSQBTXRJW-CIAFOILYSA-N
MW334.37 g/mol
LogP4.59
Rot. Bonds7

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

5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol (PubChem CID 135774334) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
PubChem CID135774334
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC(F)F)cc2)c(O)c1
InChIInChI=1S/C18H20F2N2O2/c1-3-22(4-2)15-8-5-13(17(23)11-15)12-21-14-6-9-16(10-7-14)24-18(19)20/h5-12,18,23H,3-4H2,1-2H3/b21-12+
InChIKeyUBNQHXSQBTXRJW-CIAFOILYSA-N
XLogP4.59
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol (CID 135774334) is 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(OC(F)F)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol?
The InChIKey is UBNQHXSQBTXRJW-CIAFOILYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-3-22(4-2)15-8-5-13(17(23)11-15)12-21-14-6-9-16(10-7-14)24-18(19)20/h5-12,18,23H,3-4H2,1-2H3/b21-12+.
What are the key properties of 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol has a molecular weight of 334.37 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).