tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate

C15H23FN2O4 — CID 59174464

IUPACtert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOc1ccc(N)cc1F
InChIInChI=1S/C15H23FN2O4/c1-15(2,3)22-14(19)18-6-7-20-8-9-21-13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyLEBPHCALCOYWSA-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.33
Rot. Bonds7

About tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate (PubChem CID 59174464) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
PubChem CID59174464
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOc1ccc(N)cc1F
InChIInChI=1S/C15H23FN2O4/c1-15(2,3)22-14(19)18-6-7-20-8-9-21-13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyLEBPHCALCOYWSA-UHFFFAOYSA-N
XLogP2.33
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]benzoic acid
CID 166174887
tert-butyl N-[2-[2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethoxy]ethyl]carbamate
CID 102530973
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate
CID 126635727
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
tert-butyl N-[2-(5-bromo-2-fluorophenoxy)ethyl]carbamate
CID 138986153
tert-butyl N-[2-[3-fluoro-4-(3-iodopropoxy)phenyl]ethyl]carbamate
CID 175150532
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate (CID 59174464) is tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOc1ccc(N)cc1F.
What is the InChIKey of tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate?
The InChIKey is LEBPHCALCOYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-15(2,3)22-14(19)18-6-7-20-8-9-21-13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate has a molecular weight of 314.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 59174464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).