(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

C17H25FN2O3 — CID 97334468

IUPAC(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](NC[C@H](O)c1ccccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C17H25FN2O3/c1-12(2)16(17(22)20-7-9-23-10-8-20)19-11-15(21)13-5-3-4-6-14(13)18/h3-6,12,15-16,19,21H,7-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyBSPCJQOMTWBGKG-HOTGVXAUSA-N
MW324.40 g/mol
LogP1.33
Rot. Bonds6

About (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one

(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 97334468) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID97334468
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)[C@H](NC[C@H](O)c1ccccc1F)C(=O)N1CCOCC1
InChIInChI=1S/C17H25FN2O3/c1-12(2)16(17(22)20-7-9-23-10-8-20)19-11-15(21)13-5-3-4-6-14(13)18/h3-6,12,15-16,19,21H,7-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyBSPCJQOMTWBGKG-HOTGVXAUSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one with MolForge

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Related Compounds

3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
CID 84598838
N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 54953469
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
N-[1-(2-fluorophenyl)ethyl]morpholin-4-amine
CID 83009394

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one (CID 97334468) is (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)[C@H](NC[C@H](O)c1ccccc1F)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is BSPCJQOMTWBGKG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12(2)16(17(22)20-7-9-23-10-8-20)19-11-15(21)13-5-3-4-6-14(13)18/h3-6,12,15-16,19,21H,7-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 324.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 97334468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).