N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline

C12H16F3NO2 — CID 113353765

IUPACN-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
SMILESCCOCC(C)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-3-17-8-9(2)16-10-5-4-6-11(7-10)18-12(13,14)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyMYXCXGLPBIRHOZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.42
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline

N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline (PubChem CID 113353765) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
PubChem CID113353765
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
SMILESCCOCC(C)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-3-17-8-9(2)16-10-5-4-6-11(7-10)18-12(13,14)15/h4-7,9,16H,3,8H2,1-2H3
InChIKeyMYXCXGLPBIRHOZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
CID 115918909
N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
CID 43095156
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 63000026
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
CID 113354869
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline (CID 113353765) is N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline is CCOCC(C)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline?
The InChIKey is MYXCXGLPBIRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-3-17-8-9(2)16-10-5-4-6-11(7-10)18-12(13,14)15/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline?
N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline has a molecular weight of 263.26 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 113353765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).