tert-butyl N-(2-amino-2-phenylethyl)carbamate

C13H20N2O2 — CID 2771847

IUPACtert-butyl N-(2-amino-2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyCLUUDOMFHPDBIR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-(2-amino-2-phenylethyl)carbamate

tert-butyl N-(2-amino-2-phenylethyl)carbamate (PubChem CID 2771847) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-phenylethyl)carbamate
PubChem CID2771847
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-(2-amino-2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyCLUUDOMFHPDBIR-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-phenylethyl)carbamate (CID 2771847) is tert-butyl N-(2-amino-2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-phenylethyl)carbamate is CC(C)(C)OC(=O)NCC(N)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-amino-2-phenylethyl)carbamate?
The InChIKey is CLUUDOMFHPDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-amino-2-phenylethyl)carbamate?
tert-butyl N-(2-amino-2-phenylethyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-phenylethyl)carbamate is sourced from PubChem (CID 2771847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).