3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol

C19H20N2O2 — CID 135852840

IUPAC3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol
SMILESCCN(CC)c1ccc(/N=C/c2c(O)oc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-3-21(4-2)15-11-9-14(10-12-15)20-13-17-16-7-5-6-8-18(16)23-19(17)22/h5-13,22H,3-4H2,1-2H3/b20-13+
InChIKeyBGTDYOVJXRDOHZ-DEDYPNTBSA-N
MW308.38 g/mol
LogP4.74
Rot. Bonds5

About 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol

3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol (PubChem CID 135852840) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol
PubChem CID135852840
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol
SMILESCCN(CC)c1ccc(/N=C/c2c(O)oc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2/c1-3-21(4-2)15-11-9-14(10-12-15)20-13-17-16-7-5-6-8-18(16)23-19(17)22/h5-13,22H,3-4H2,1-2H3/b20-13+
InChIKeyBGTDYOVJXRDOHZ-DEDYPNTBSA-N
XLogP4.74
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.74
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 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol?
The IUPAC name of 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol (CID 135852840) is 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol.
What is the SMILES notation for 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol?
The canonical SMILES for 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol is CCN(CC)c1ccc(/N=C/c2c(O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol?
The InChIKey is BGTDYOVJXRDOHZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-21(4-2)15-11-9-14(10-12-15)20-13-17-16-7-5-6-8-18(16)23-19(17)22/h5-13,22H,3-4H2,1-2H3/b20-13+.
What are the key properties of 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol?
3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol has a molecular weight of 308.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)phenyl]iminomethyl]-1-benzofuran-2-ol is sourced from PubChem (CID 135852840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).