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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Related Compounds

N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689164
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
N-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 64734525
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
1-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]azepan-4-amine
CID 65070364

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).