(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C19H19F3N2O2 — CID 45217332

IUPAC(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ncccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2/c1-13-17(6-3-7-23-13)18(25)24-8-9-26-16(12-24)11-14-4-2-5-15(10-14)19(20,21)22/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyLJYCWXVWHBZNDS-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.49
Rot. Bonds3

About (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 45217332) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID45217332
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ncccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2/c1-13-17(6-3-7-23-13)18(25)24-8-9-26-16(12-24)11-14-4-2-5-15(10-14)19(20,21)22/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyLJYCWXVWHBZNDS-UHFFFAOYSA-N
XLogP3.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45249229
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 102604264

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 45217332) is (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Cc1ncccc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is LJYCWXVWHBZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-17(6-3-7-23-13)18(25)24-8-9-26-16(12-24)11-14-4-2-5-15(10-14)19(20,21)22/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 364.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45217332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).