(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate

C21H24FNO3 — CID 55368942

IUPAC(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H24FNO3/c22-20-9-5-4-8-18(20)10-11-21(24)26-16-19-15-23(12-13-25-19)14-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyXSUUECMSYCULER-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.20
Rot. Bonds7

About (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate

(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate (PubChem CID 55368942) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
PubChem CID55368942
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)OCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H24FNO3/c22-20-9-5-4-8-18(20)10-11-21(24)26-16-19-15-23(12-13-25-19)14-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyXSUUECMSYCULER-UHFFFAOYSA-N
XLogP3.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate (CID 55368942) is (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate is O=C(CCc1ccccc1F)OCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate?
The InChIKey is XSUUECMSYCULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c22-20-9-5-4-8-18(20)10-11-21(24)26-16-19-15-23(12-13-25-19)14-17-6-2-1-3-7-17/h1-9,19H,10-16H2.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate?
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate has a molecular weight of 357.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 55368942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).