tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate

C13H20N2O2 — CID 24700779

IUPACtert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
SMILESCc1ccc(N)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-8-6-7-10(14)9(2)11(8)15-12(16)17-13(3,4)5/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyVITNAVQELPRTKZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.23
Rot. Bonds1

About tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate

tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate (PubChem CID 24700779) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
PubChem CID24700779
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
SMILESCc1ccc(N)c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-8-6-7-10(14)9(2)11(8)15-12(16)17-13(3,4)5/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyVITNAVQELPRTKZ-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
CID 104932785
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
CID 84807209
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate (CID 24700779) is tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate is Cc1ccc(N)c(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate?
The InChIKey is VITNAVQELPRTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-7-10(14)9(2)11(8)15-12(16)17-13(3,4)5/h6-7H,14H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate?
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 24700779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).