2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol

C20H26N2O2 — CID 45488633

IUPAC2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C20H26N2O2/c23-20-8-7-18(17-5-2-1-3-6-17)15-19(20)16-21-9-4-10-22-11-13-24-14-12-22/h1-3,5-8,15,21,23H,4,9-14,16H2
InChIKeyMIIHFEYECOPRGQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds7

About 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol

2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol (PubChem CID 45488633) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol
PubChem CID45488633
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1CNCCCN1CCOCC1
InChIInChI=1S/C20H26N2O2/c23-20-8-7-18(17-5-2-1-3-6-17)15-19(20)16-21-9-4-10-22-11-13-24-14-12-22/h1-3,5-8,15,21,23H,4,9-14,16H2
InChIKeyMIIHFEYECOPRGQ-UHFFFAOYSA-N
XLogP2.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol?
The IUPAC name of 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol (CID 45488633) is 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol.
What is the SMILES notation for 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol?
The canonical SMILES for 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1CNCCCN1CCOCC1.
What is the InChIKey of 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol?
The InChIKey is MIIHFEYECOPRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-20-8-7-18(17-5-2-1-3-6-17)15-19(20)16-21-9-4-10-22-11-13-24-14-12-22/h1-3,5-8,15,21,23H,4,9-14,16H2.
What are the key properties of 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol?
2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol has a molecular weight of 326.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylpropylamino)methyl]-4-phenylphenol is sourced from PubChem (CID 45488633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).