[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol

C11H15FN2O2 — CID 166940465

IUPAC[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
SMILESNc1cc(N2CCO[C@@H](CO)C2)ccc1F
InChIInChI=1S/C11H15FN2O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2/t9-/m1/s1
InChIKeyFACDCRNTVLJIKK-SECBINFHSA-N
MW226.25 g/mol
LogP0.61
Rot. Bonds2

About [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol

[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol (PubChem CID 166940465) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
PubChem CID166940465
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
SMILESNc1cc(N2CCO[C@@H](CO)C2)ccc1F
InChIInChI=1S/C11H15FN2O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2/t9-/m1/s1
InChIKeyFACDCRNTVLJIKK-SECBINFHSA-N
XLogP0.61
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
CID 81204453
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
[4-[2-(aminomethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81205345
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
[4-[2-(hydroxymethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81218721
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236
4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 81195077

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol (CID 166940465) is [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol is Nc1cc(N2CCO[C@@H](CO)C2)ccc1F.
What is the InChIKey of [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol?
The InChIKey is FACDCRNTVLJIKK-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-10-2-1-8(5-11(10)13)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2/t9-/m1/s1.
What are the key properties of [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol?
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 166940465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).