N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline

C14H19F3N2O3 — CID 164584084

IUPACN-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
SMILESCNc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c1-18-11-8-12(10-13(9-11)22-14(15,16)17)21-7-4-19-2-5-20-6-3-19/h8-10,18H,2-7H2,1H3
InChIKeyMCGWSKNQAHUDQR-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline

N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline (PubChem CID 164584084) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
PubChem CID164584084
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC NameN-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
SMILESCNc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c1-18-11-8-12(10-13(9-11)22-14(15,16)17)21-7-4-19-2-5-20-6-3-19/h8-10,18H,2-7H2,1H3
InChIKeyMCGWSKNQAHUDQR-UHFFFAOYSA-N
XLogP2.34
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
CID 131743232
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The IUPAC name of N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline (CID 164584084) is N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The canonical SMILES for N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline is CNc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The InChIKey is MCGWSKNQAHUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-18-11-8-12(10-13(9-11)22-14(15,16)17)21-7-4-19-2-5-20-6-3-19/h8-10,18H,2-7H2,1H3.
What are the key properties of N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline has a molecular weight of 320.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 164584084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).