2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine

C18H18F3NO3S — CID 133354177

IUPAC2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCc1ccccc1C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C18H18F3NO3S/c1-13-6-2-3-7-14(13)16-12-22(10-11-25-16)15-8-4-5-9-17(15)26(23,24)18(19,20)21/h2-9,16H,10-12H2,1H3
InChIKeyBRLULBXNMQREAS-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine

2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (PubChem CID 133354177) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
PubChem CID133354177
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCc1ccccc1C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C18H18F3NO3S/c1-13-6-2-3-7-14(13)16-12-22(10-11-25-16)15-8-4-5-9-17(15)26(23,24)18(19,20)21/h2-9,16H,10-12H2,1H3
InChIKeyBRLULBXNMQREAS-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
3-bromo-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine
CID 80673575
4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449960
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
5-chloro-2-[2-(2-methylphenyl)morpholin-4-yl]benzonitrile
CID 133354168
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methylfuran-2-yl)morpholine
CID 100665177
4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133354102
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (CID 133354177) is 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is Cc1ccccc1C1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is BRLULBXNMQREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-13-6-2-3-7-14(13)16-12-22(10-11-25-16)15-8-4-5-9-17(15)26(23,24)18(19,20)21/h2-9,16H,10-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 385.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 133354177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).