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

C17H20N2O2 — CID 28675643

IUPAC4-[(4-morpholin-4-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O2/c20-17-7-1-14(2-8-17)13-18-15-3-5-16(6-4-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2
InChIKeyIYAHHUDHUQWGFP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

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

4-[(4-morpholin-4-ylanilino)methyl]phenol (PubChem CID 28675643) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylanilino)methyl]phenol
PubChem CID28675643
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-morpholin-4-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O2/c20-17-7-1-14(2-8-17)13-18-15-3-5-16(6-4-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2
InChIKeyIYAHHUDHUQWGFP-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'}

Analyze 4-[(4-morpholin-4-ylanilino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylanilino)methyl]phenol?
The IUPAC name of 4-[(4-morpholin-4-ylanilino)methyl]phenol (CID 28675643) is 4-[(4-morpholin-4-ylanilino)methyl]phenol.
What is the SMILES notation for 4-[(4-morpholin-4-ylanilino)methyl]phenol?
The canonical SMILES for 4-[(4-morpholin-4-ylanilino)methyl]phenol is Oc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(4-morpholin-4-ylanilino)methyl]phenol?
The InChIKey is IYAHHUDHUQWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17-7-1-14(2-8-17)13-18-15-3-5-16(6-4-15)19-9-11-21-12-10-19/h1-8,18,20H,9-13H2.
What are the key properties of 4-[(4-morpholin-4-ylanilino)methyl]phenol?
4-[(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 4-[(4-morpholin-4-ylanilino)methyl]phenol is sourced from PubChem (CID 28675643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).