N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

C15H18F3NO — CID 43689188

IUPACN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2
InChIKeyYVEAFDQWDJDKCJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.23
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 43689188) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID43689188
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2
InChIKeyYVEAFDQWDJDKCJ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 43689188) is N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is YVEAFDQWDJDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 285.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 43689188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).