4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine

C14H18F3NO — CID 157042080

IUPAC4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-2-11-3-4-12(13(9-11)14(15,16)17)10-18-5-7-19-8-6-18/h3-4,9H,2,5-8,10H2,1H3
InChIKeyPZMPUHPBLCTBBD-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.10
Rot. Bonds3

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

4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 157042080) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID157042080
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-2-11-3-4-12(13(9-11)14(15,16)17)10-18-5-7-19-8-6-18/h3-4,9H,2,5-8,10H2,1H3
InChIKeyPZMPUHPBLCTBBD-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetic acid
CID 159866022
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 70672221
4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394294
ethane;4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394293
4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 117219356
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397
4-(azepan-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 117219369
1-methyl-6-(morpholin-4-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
CID 177027614
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 71657501

Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine (CID 157042080) is 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine is CCc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is PZMPUHPBLCTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-11-3-4-12(13(9-11)14(15,16)17)10-18-5-7-19-8-6-18/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 273.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 157042080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).