2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

C18H27FN2O4 — CID 72904648

IUPAC2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCC(C)Oc1cccc(F)c1C(C(=O)O)N(C)CCN1CCOCC1
InChIInChI=1S/C18H27FN2O4/c1-13(2)25-15-6-4-5-14(19)16(15)17(18(22)23)20(3)7-8-21-9-11-24-12-10-21/h4-6,13,17H,7-12H2,1-3H3,(H,22,23)
InChIKeyGLRUGBPSLICODI-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.00
Rot. Bonds8

About 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid

2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (PubChem CID 72904648) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
PubChem CID72904648
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC Name2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
SMILESCC(C)Oc1cccc(F)c1C(C(=O)O)N(C)CCN1CCOCC1
InChIInChI=1S/C18H27FN2O4/c1-13(2)25-15-6-4-5-14(19)16(15)17(18(22)23)20(3)7-8-21-9-11-24-12-10-21/h4-6,13,17H,7-12H2,1-3H3,(H,22,23)
InChIKeyGLRUGBPSLICODI-UHFFFAOYSA-N
XLogP2.00
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid with MolForge

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Related Compounds

(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97203147
(2R)-2-(3-ethoxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97207749
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
(2R)-2-(2-chloro-6-fluorophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]acetic acid
CID 164642080
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44933091
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenoxypropanamide
CID 90607349
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
(4E,5R)-5-(2,3-dimethoxyphenyl)-4-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 98335076

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The IUPAC name of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid (CID 72904648) is 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The canonical SMILES for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is CC(C)Oc1cccc(F)c1C(C(=O)O)N(C)CCN1CCOCC1.
What is the InChIKey of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
The InChIKey is GLRUGBPSLICODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4/c1-13(2)25-15-6-4-5-14(19)16(15)17(18(22)23)20(3)7-8-21-9-11-24-12-10-21/h4-6,13,17H,7-12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid?
2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid has a molecular weight of 354.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid is sourced from PubChem (CID 72904648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).