tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate

C12H15ClN2O4 — CID 170155819

IUPACtert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate
SMILESCC(C)(C)OC(=O)NC(=O)Oc1c(N)cccc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-10(16)18-9-7(13)5-4-6-8(9)14/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyIJIXEDWHSGXXHK-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate

tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate (PubChem CID 170155819) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate
PubChem CID170155819
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Nametert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate
SMILESCC(C)(C)OC(=O)NC(=O)Oc1c(N)cccc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-10(16)18-9-7(13)5-4-6-8(9)14/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyIJIXEDWHSGXXHK-UHFFFAOYSA-N
XLogP2.95
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(2-amino-6-chlorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67076750
tert-butyl N-[2-(2-amino-6-chloroanilino)ethyl]carbamate
CID 114518019
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-[4-(2-amino-6-chlorophenyl)but-3-enyl]carbamate
CID 170490150
(2-amino-6-chlorophenyl) prop-2-enoate
CID 135356842
tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
CID 166932018
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
CID 146282130
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate?
The IUPAC name of tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate (CID 170155819) is tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate.
What is the SMILES notation for tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate?
The canonical SMILES for tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate is CC(C)(C)OC(=O)NC(=O)Oc1c(N)cccc1Cl.
What is the InChIKey of tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate?
The InChIKey is IJIXEDWHSGXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-12(2,3)19-11(17)15-10(16)18-9-7(13)5-4-6-8(9)14/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate?
tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate has a molecular weight of 286.71 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-6-chlorophenoxy)carbonylcarbamate is sourced from PubChem (CID 170155819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).