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

C17H20N2O — CID 738977

IUPAC4-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(4-2)16-9-7-15(8-10-16)18-13-14-5-11-17(20)12-6-14/h5-13,20H,3-4H2,1-2H3/b18-13+
InChIKeyCTGUHJWZWPATNB-QGOAFFKASA-N
MW268.36 g/mol
LogP3.99
Rot. Bonds5

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

4-[[4-(diethylamino)phenyl]iminomethyl]phenol (PubChem CID 738977) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]iminomethyl]phenol
PubChem CID738977
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[[4-(diethylamino)phenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(4-2)16-9-7-15(8-10-16)18-13-14-5-11-17(20)12-6-14/h5-13,20H,3-4H2,1-2H3/b18-13+
InChIKeyCTGUHJWZWPATNB-QGOAFFKASA-N
XLogP3.99
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-(diethylamino)phenyl]iminomethyl]phenol (CID 738977) is 4-[[4-(diethylamino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]iminomethyl]phenol is CCN(CC)c1ccc(/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]iminomethyl]phenol?
The InChIKey is CTGUHJWZWPATNB-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19(4-2)16-9-7-15(8-10-16)18-13-14-5-11-17(20)12-6-14/h5-13,20H,3-4H2,1-2H3/b18-13+.
What are the key properties of 4-[[4-(diethylamino)phenyl]iminomethyl]phenol?
4-[[4-(diethylamino)phenyl]iminomethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 738977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).