N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline

C14H19F3N2O — CID 69245466

IUPACN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1cccc(NCCN2CCCC2)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-20-13-5-3-4-12(10-13)18-6-9-19-7-1-2-8-19/h3-5,10,18H,1-2,6-9,11H2
InChIKeyCXSVYAZRRJZIKC-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.14
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline

N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline (PubChem CID 69245466) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline
PubChem CID69245466
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1cccc(NCCN2CCCC2)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-20-13-5-3-4-12(10-13)18-6-9-19-7-1-2-8-19/h3-5,10,18H,1-2,6-9,11H2
InChIKeyCXSVYAZRRJZIKC-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25270146
N-Methyl-m-anisidine
CID 84349
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline (CID 69245466) is N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1cccc(NCCN2CCCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is CXSVYAZRRJZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)11-20-13-5-3-4-12(10-13)18-6-9-19-7-1-2-8-19/h3-5,10,18H,1-2,6-9,11H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline?
N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 69245466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).