2-[(4-morpholin-4-ylanilino)methyl]phenol

C17H20N2O2 — CID 28675691

IUPAC2-[(4-morpholin-4-ylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2/c20-17-4-2-1-3-14(17)13-18-15-5-7-16(8-6-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2
InChIKeyDJEXHMUPNCCOKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4-morpholin-4-ylanilino)methyl]phenol

2-[(4-morpholin-4-ylanilino)methyl]phenol (PubChem CID 28675691) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylanilino)methyl]phenol
PubChem CID28675691
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(4-morpholin-4-ylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2/c20-17-4-2-1-3-14(17)13-18-15-5-7-16(8-6-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2
InChIKeyDJEXHMUPNCCOKP-UHFFFAOYSA-N
XLogP2.84
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylanilino)methyl]phenol?
The IUPAC name of 2-[(4-morpholin-4-ylanilino)methyl]phenol (CID 28675691) is 2-[(4-morpholin-4-ylanilino)methyl]phenol.
What is the SMILES notation for 2-[(4-morpholin-4-ylanilino)methyl]phenol?
The canonical SMILES for 2-[(4-morpholin-4-ylanilino)methyl]phenol is Oc1ccccc1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylanilino)methyl]phenol?
The InChIKey is DJEXHMUPNCCOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17-4-2-1-3-14(17)13-18-15-5-7-16(8-6-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2.
What are the key properties of 2-[(4-morpholin-4-ylanilino)methyl]phenol?
2-[(4-morpholin-4-ylanilino)methyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylanilino)methyl]phenol is sourced from PubChem (CID 28675691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).