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

C15H22F3NO — CID 144816585

IUPACethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO.C2H6/c1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3
InChIKeyIRTLKDMVGXNGAP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.87
Rot. Bonds2

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

ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 144816585) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID144816585
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Nameethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO.C2H6/c1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3
InChIKeyIRTLKDMVGXNGAP-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
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CID 71136901
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4-(azepan-1-ylmethyl)-3-(trifluoromethyl)phenol
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CID 91883597
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397
(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
CID 130286479
4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 144622856
2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 118563650
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine (CID 144816585) is ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine is CC.Cc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is IRTLKDMVGXNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.C2H6/c1-10-2-3-11(12(8-10)13(14,15)16)9-17-4-6-18-7-5-17;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3.
What are the key properties of ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 289.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 144816585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).