(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C19H21F3N2O — CID 28732920

IUPAC(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1cccc(CN2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C19H21F3N2O/c1-14-4-2-7-17(23-14)12-24-8-9-25-18(13-24)11-15-5-3-6-16(10-15)19(20,21)22/h2-7,10,18H,8-9,11-13H2,1H3/t18-/m0/s1
InChIKeyQKZQYPSNFUVITG-SFHVURJKSA-N
MW350.38 g/mol
LogP3.85
Rot. Bonds4

About (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 28732920) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID28732920
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCc1cccc(CN2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C19H21F3N2O/c1-14-4-2-7-17(23-14)12-24-8-9-25-18(13-24)11-15-5-3-6-16(10-15)19(20,21)22/h2-7,10,18H,8-9,11-13H2,1H3/t18-/m0/s1
InChIKeyQKZQYPSNFUVITG-SFHVURJKSA-N
XLogP3.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95563019
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
CID 124993881
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
2-[(2R)-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95202746
N-[(6-methyl-2-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60962305
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 28732920) is (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is Cc1cccc(CN2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1.
What is the InChIKey of (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is QKZQYPSNFUVITG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-14-4-2-7-17(23-14)12-24-8-9-25-18(13-24)11-15-5-3-6-16(10-15)19(20,21)22/h2-7,10,18H,8-9,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 350.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 28732920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).