(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C14H19FN2O3 — CID 114776108

IUPAC(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)c(N)c2)CC(CO)O1
InChIInChI=1S/C14H19FN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3
InChIKeyFGZMMJFXLDMXKY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.02
Rot. Bonds2

About (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776108) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776108
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)c(N)c2)CC(CO)O1
InChIInChI=1S/C14H19FN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3
InChIKeyFGZMMJFXLDMXKY-UHFFFAOYSA-N
XLogP1.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.02
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

(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2-amino-4-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780098
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778552
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
(3-bromo-4-fluorophenyl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107956876
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753478

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776108) is (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2ccc(F)c(N)c2)CC(CO)O1.
What is the InChIKey of (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is FGZMMJFXLDMXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3.
What are the key properties of (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 282.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).