tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate

C13H19BrN2O2 — CID 71628811

IUPACtert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-5-4-6-10(14)7-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKeyGYXPOVYGRXGVBV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate

tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate (PubChem CID 71628811) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate
PubChem CID71628811
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Nametert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(N)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-5-4-6-10(14)7-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKeyGYXPOVYGRXGVBV-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.97
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-(3-bromophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate (CID 71628811) is tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(N)c1cccc(Br)c1.
What is the InChIKey of tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate?
The InChIKey is GYXPOVYGRXGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-5-4-6-10(14)7-9/h4-7,11H,8,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate?
tert-butyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate has a molecular weight of 315.21 g/mol, XLogP of 2.97, 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-(3-bromophenyl)ethyl]carbamate is sourced from PubChem (CID 71628811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).