(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate

C13H19ClN2O2 — CID 174604638

IUPAC(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)Oc1ccc(Cl)cc1N)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-5-16(13(2,3)4)12(17)18-11-7-6-9(14)8-10(11)15/h6-8H,5,15H2,1-4H3
InChIKeyLZLWTQAIBYCPOW-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.54
Rot. Bonds2

About (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate

(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate (PubChem CID 174604638) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate
PubChem CID174604638
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)Oc1ccc(Cl)cc1N)C(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-5-16(13(2,3)4)12(17)18-11-7-6-9(14)8-10(11)15/h6-8H,5,15H2,1-4H3
InChIKeyLZLWTQAIBYCPOW-UHFFFAOYSA-N
XLogP3.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
[5-[2-(3-chlorophenyl)ethynyl]-2-pyridinyl] N-tert-butyl-N-ethylcarbamate
CID 122583315
N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
CID 108519777
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
(2-amino-4-chlorophenyl) N,N-dimethylsulfamate
CID 23329889
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
CID 81175485
(2,4-diaminophenyl) propanoate
CID 89154714
propyl 2-amino-4-chlorobenzoate
CID 28690133

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate?
The IUPAC name of (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate (CID 174604638) is (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate.
What is the SMILES notation for (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate?
The canonical SMILES for (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate is CCN(C(=O)Oc1ccc(Cl)cc1N)C(C)(C)C.
What is the InChIKey of (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate?
The InChIKey is LZLWTQAIBYCPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-5-16(13(2,3)4)12(17)18-11-7-6-9(14)8-10(11)15/h6-8H,5,15H2,1-4H3.
What are the key properties of (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate?
(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate has a molecular weight of 270.76 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate is sourced from PubChem (CID 174604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).