ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine

C15H22F3NO2 — CID 156721917

IUPACethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
SMILESCC.Cc1c(CN2CCOCC2)cccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2.C2H6/c1-10-11(9-17-5-7-18-8-6-17)3-2-4-12(10)19-13(14,15)16;1-2/h2-4H,5-9H2,1H3;1-2H3
InChIKeyFTSUWFMLLPOZAF-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.75
Rot. Bonds3

About ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine

ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine (PubChem CID 156721917) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
PubChem CID156721917
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Nameethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
SMILESCC.Cc1c(CN2CCOCC2)cccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO2.C2H6/c1-10-11(9-17-5-7-18-8-6-17)3-2-4-12(10)19-13(14,15)16;1-2/h2-4H,5-9H2,1H3;1-2H3
InChIKeyFTSUWFMLLPOZAF-UHFFFAOYSA-N
XLogP3.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
CID 175535897
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
4-[(2-fluorosulfonyloxyphenyl)methyl]morpholine
CID 174848163
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
3-[2-methyl-3-(trifluoromethoxy)phenyl]propanenitrile
CID 134621531
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
CID 23441207
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 35973686
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine?
The IUPAC name of ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine (CID 156721917) is ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine.
What is the SMILES notation for ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine?
The canonical SMILES for ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine is CC.Cc1c(CN2CCOCC2)cccc1OC(F)(F)F.
What is the InChIKey of ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine?
The InChIKey is FTSUWFMLLPOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2.C2H6/c1-10-11(9-17-5-7-18-8-6-17)3-2-4-12(10)19-13(14,15)16;1-2/h2-4H,5-9H2,1H3;1-2H3.
What are the key properties of ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine?
ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine has a molecular weight of 305.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine is sourced from PubChem (CID 156721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).