3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol

C17H18N2O2 — CID 2356379

IUPAC3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol
SMILESOc1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H18N2O2/c20-17-3-1-2-15(12-17)18-13-14-4-6-16(7-5-14)19-8-10-21-11-9-19/h1-7,12-13,20H,8-11H2/b18-13+
InChIKeyRYJGLQZZROKXEW-QGOAFFKASA-N
MW282.34 g/mol
LogP2.98
Rot. Bonds3

About 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol

3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol (PubChem CID 2356379) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol
PubChem CID2356379
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol
SMILESOc1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H18N2O2/c20-17-3-1-2-15(12-17)18-13-14-4-6-16(7-5-14)19-8-10-21-11-9-19/h1-7,12-13,20H,8-11H2/b18-13+
InChIKeyRYJGLQZZROKXEW-QGOAFFKASA-N
XLogP2.98
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.98
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 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol?
The IUPAC name of 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol (CID 2356379) is 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol.
What is the SMILES notation for 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol?
The canonical SMILES for 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol is Oc1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol?
The InChIKey is RYJGLQZZROKXEW-QGOAFFKASA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17-3-1-2-15(12-17)18-13-14-4-6-16(7-5-14)19-8-10-21-11-9-19/h1-7,12-13,20H,8-11H2/b18-13+.
What are the key properties of 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol?
3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol has a molecular weight of 282.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 2356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).