(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol

C20H24FNO3 — CID 100899686

IUPAC(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H24FNO3/c1-15-11-22(13-20(25-15)16-7-3-2-4-8-16)12-17(23)14-24-19-10-6-5-9-18(19)21/h2-10,15,17,20,23H,11-14H2,1H3/t15-,17-,20-/m1/s1
InChIKeyQGWSRYDRHMBKRN-WRWLIDTKSA-N
MW345.41 g/mol
LogP3.03
Rot. Bonds6

About (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol

(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol (PubChem CID 100899686) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
PubChem CID100899686
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H24FNO3/c1-15-11-22(13-20(25-15)16-7-3-2-4-8-16)12-17(23)14-24-19-10-6-5-9-18(19)21/h2-10,15,17,20,23H,11-14H2,1H3/t15-,17-,20-/m1/s1
InChIKeyQGWSRYDRHMBKRN-WRWLIDTKSA-N
XLogP3.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol (CID 100899686) is (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol?
The InChIKey is QGWSRYDRHMBKRN-WRWLIDTKSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-15-11-22(13-20(25-15)16-7-3-2-4-8-16)12-17(23)14-24-19-10-6-5-9-18(19)21/h2-10,15,17,20,23H,11-14H2,1H3/t15-,17-,20-/m1/s1.
What are the key properties of (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol?
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol has a molecular weight of 345.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 100899686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).