tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate

C14H19F3N2O3 — CID 134181261

IUPACtert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c1-13(2,3)22-12(20)19-6-7-21-9-4-5-11(18)10(8-9)14(15,16)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20)
InChIKeyYILPXNUEOPMVLE-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate

tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate (PubChem CID 134181261) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate
PubChem CID134181261
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Nametert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O3/c1-13(2,3)22-12(20)19-6-7-21-9-4-5-11(18)10(8-9)14(15,16)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20)
InChIKeyYILPXNUEOPMVLE-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate (CID 134181261) is tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate?
The InChIKey is YILPXNUEOPMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-13(2,3)22-12(20)19-6-7-21-9-4-5-11(18)10(8-9)14(15,16)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate has a molecular weight of 320.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-amino-3-(trifluoromethyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 134181261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).