(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C13H16F2N2O3 — CID 81205909

IUPAC(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H16F2N2O3/c1-7-6-20-8(5-18)4-17(7)13(19)11-9(14)2-3-10(16)12(11)15/h2-3,7-8,18H,4-6,16H2,1H3
InChIKeyCGIGMPJOTPQSAW-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.77
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81205909) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81205909
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H16F2N2O3/c1-7-6-20-8(5-18)4-17(7)13(19)11-9(14)2-3-10(16)12(11)15/h2-3,7-8,18H,4-6,16H2,1H3
InChIKeyCGIGMPJOTPQSAW-UHFFFAOYSA-N
XLogP0.77
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815850
(2-chloro-6-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81209256
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(4-amino-3-bromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81202851
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81394705
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81205909) is (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is CGIGMPJOTPQSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-7-6-20-8(5-18)4-17(7)13(19)11-9(14)2-3-10(16)12(11)15/h2-3,7-8,18H,4-6,16H2,1H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 286.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81205909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).