(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

C19H20FNO3 — CID 155916065

IUPAC(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESCc1cccc(F)c1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-13-6-5-9-15(20)17(13)19(23)21-10-11-24-16(12-22)18(21)14-7-3-2-4-8-14/h2-9,16,18,22H,10-12H2,1H3/t16-,18-/m0/s1
InChIKeyPLBIGHUJCPRUAE-WMZOPIPTSA-N
MW329.37 g/mol
LogP2.71
Rot. Bonds3

About (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone

(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (PubChem CID 155916065) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
PubChem CID155916065
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
SMILESCc1cccc(F)c1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-13-6-5-9-15(20)17(13)19(23)21-10-11-24-16(12-22)18(21)14-7-3-2-4-8-14/h2-9,16,18,22H,10-12H2,1H3/t16-,18-/m0/s1
InChIKeyPLBIGHUJCPRUAE-WMZOPIPTSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-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-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155499744
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 134711695
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 134705585
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 134704281
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 134698352
4-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 155505387
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
(2-amino-1,3-thiazol-4-yl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155507363

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone (CID 155916065) is (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is Cc1cccc(F)c1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
The InChIKey is PLBIGHUJCPRUAE-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-6-5-9-15(20)17(13)19(23)21-10-11-24-16(12-22)18(21)14-7-3-2-4-8-14/h2-9,16,18,22H,10-12H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone?
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone has a molecular weight of 329.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 155916065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).