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

C14H20N2O2 — CID 137288285

IUPAC2-(2-morpholin-4-ylpropyliminomethyl)phenol
SMILESCC(C/N=C/c1ccccc1O)N1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-12(16-6-8-18-9-7-16)10-15-11-13-4-2-3-5-14(13)17/h2-5,11-12,17H,6-10H2,1H3/b15-11+
InChIKeyDAFMXNGFPGBUAZ-RVDMUPIBSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds4

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

2-(2-morpholin-4-ylpropyliminomethyl)phenol (PubChem CID 137288285) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpropyliminomethyl)phenol.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpropyliminomethyl)phenol
PubChem CID137288285
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-morpholin-4-ylpropyliminomethyl)phenol
SMILESCC(C/N=C/c1ccccc1O)N1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-12(16-6-8-18-9-7-16)10-15-11-13-4-2-3-5-14(13)17/h2-5,11-12,17H,6-10H2,1H3/b15-11+
InChIKeyDAFMXNGFPGBUAZ-RVDMUPIBSA-N
XLogP1.53
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpropyliminomethyl)phenol?
The IUPAC name of 2-(2-morpholin-4-ylpropyliminomethyl)phenol (CID 137288285) is 2-(2-morpholin-4-ylpropyliminomethyl)phenol.
What is the SMILES notation for 2-(2-morpholin-4-ylpropyliminomethyl)phenol?
The canonical SMILES for 2-(2-morpholin-4-ylpropyliminomethyl)phenol is CC(C/N=C/c1ccccc1O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylpropyliminomethyl)phenol?
The InChIKey is DAFMXNGFPGBUAZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(16-6-8-18-9-7-16)10-15-11-13-4-2-3-5-14(13)17/h2-5,11-12,17H,6-10H2,1H3/b15-11+.
What are the key properties of 2-(2-morpholin-4-ylpropyliminomethyl)phenol?
2-(2-morpholin-4-ylpropyliminomethyl)phenol has a molecular weight of 248.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpropyliminomethyl)phenol is sourced from PubChem (CID 137288285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).