4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol

C19H23FN2O2 — CID 45488764

IUPAC4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1CNCCN1CCOCC1
InChIInChI=1S/C19H23FN2O2/c20-18-4-1-15(2-5-18)16-3-6-19(23)17(13-16)14-21-7-8-22-9-11-24-12-10-22/h1-6,13,21,23H,7-12,14H2
InChIKeySAINZNDBDVTNTG-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.62
Rot. Bonds6

About 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol

4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol (PubChem CID 45488764) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
PubChem CID45488764
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1CNCCN1CCOCC1
InChIInChI=1S/C19H23FN2O2/c20-18-4-1-15(2-5-18)16-3-6-19(23)17(13-16)14-21-7-8-22-9-11-24-12-10-22/h1-6,13,21,23H,7-12,14H2
InChIKeySAINZNDBDVTNTG-UHFFFAOYSA-N
XLogP2.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.62
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 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol (CID 45488764) is 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol is Oc1ccc(-c2ccc(F)cc2)cc1CNCCN1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
The InChIKey is SAINZNDBDVTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-18-4-1-15(2-5-18)16-3-6-19(23)17(13-16)14-21-7-8-22-9-11-24-12-10-22/h1-6,13,21,23H,7-12,14H2.
What are the key properties of 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol?
4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol has a molecular weight of 330.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 45488764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).