tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate

C14H21FN2O2 — CID 82023502

IUPACtert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)12(9-16)10-5-7-11(15)8-6-10/h5-8,12H,9,16H2,1-4H3
InChIKeyYDTPVTDYQFFYRD-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate

tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 82023502) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
PubChem CID82023502
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nametert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)12(9-16)10-5-7-11(15)8-6-10/h5-8,12H,9,16H2,1-4H3
InChIKeyYDTPVTDYQFFYRD-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate (CID 82023502) is tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(CN)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is YDTPVTDYQFFYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)19-13(18)17(4)12(9-16)10-5-7-11(15)8-6-10/h5-8,12H,9,16H2,1-4H3.
What are the key properties of tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 268.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 82023502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).