4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine

C17H24F3NO3 — CID 56874321

IUPAC4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCOc1cc(CN2CCOC(C(F)(F)F)C2)ccc1OC(C)C
InChIInChI=1S/C17H24F3NO3/c1-4-22-15-9-13(5-6-14(15)24-12(2)3)10-21-7-8-23-16(11-21)17(18,19)20/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3
InChIKeyNIJIXEVVHVVMAZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.64
Rot. Bonds6

About 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine

4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56874321) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56874321
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
SMILESCCOc1cc(CN2CCOC(C(F)(F)F)C2)ccc1OC(C)C
InChIInChI=1S/C17H24F3NO3/c1-4-22-15-9-13(5-6-14(15)24-12(2)3)10-21-7-8-23-16(11-21)17(18,19)20/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3
InChIKeyNIJIXEVVHVVMAZ-UHFFFAOYSA-N
XLogP3.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638336
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
(3R,4R)-1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163318221
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 56881232

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine (CID 56874321) is 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine is CCOc1cc(CN2CCOC(C(F)(F)F)C2)ccc1OC(C)C.
What is the InChIKey of 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is NIJIXEVVHVVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-4-22-15-9-13(5-6-14(15)24-12(2)3)10-21-7-8-23-16(11-21)17(18,19)20/h5-6,9,12,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine?
4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 347.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56874321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).