tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate

C13H20N2O2 — CID 84699536

IUPACtert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate
SMILESCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-7-5-6-8-11(10)14-4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyJELKXGNIYCDHKS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate

tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate (PubChem CID 84699536) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate
PubChem CID84699536
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate
SMILESCNc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-7-5-6-8-11(10)14-4/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyJELKXGNIYCDHKS-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 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 ≤ 52.75
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-(methylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate (CID 84699536) is tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate is CNc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate?
The InChIKey is JELKXGNIYCDHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-10-7-5-6-8-11(10)14-4/h5-8,14H,9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate?
tert-butyl N-[[2-(methylamino)phenyl]methyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.75, 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-(methylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 84699536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).