2-(3-morpholin-4-ylpropyliminomethyl)phenol

C14H20N2O2 — CID 585138

IUPAC2-(3-morpholin-4-ylpropyliminomethyl)phenol
SMILESOc1ccccc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H20N2O2/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16/h1-2,4-5,12,17H,3,6-11H2/b15-12+
InChIKeyMBZHORGUJVHIJX-NTCAYCPXSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-morpholin-4-ylpropyliminomethyl)phenol

2-(3-morpholin-4-ylpropyliminomethyl)phenol (PubChem CID 585138) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyliminomethyl)phenol.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyliminomethyl)phenol
PubChem CID585138
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-morpholin-4-ylpropyliminomethyl)phenol
SMILESOc1ccccc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H20N2O2/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16/h1-2,4-5,12,17H,3,6-11H2/b15-12+
InChIKeyMBZHORGUJVHIJX-NTCAYCPXSA-N
XLogP1.53
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The IUPAC name of 2-(3-morpholin-4-ylpropyliminomethyl)phenol (CID 585138) is 2-(3-morpholin-4-ylpropyliminomethyl)phenol.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The canonical SMILES for 2-(3-morpholin-4-ylpropyliminomethyl)phenol is Oc1ccccc1/C=N/CCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyliminomethyl)phenol?
The InChIKey is MBZHORGUJVHIJX-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16/h1-2,4-5,12,17H,3,6-11H2/b15-12+.
What are the key properties of 2-(3-morpholin-4-ylpropyliminomethyl)phenol?
2-(3-morpholin-4-ylpropyliminomethyl)phenol has a molecular weight of 248.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyliminomethyl)phenol is sourced from PubChem (CID 585138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).