tert-butyl N-(2-amino-3-methylphenyl)carbamate

C12H18N2O2 — CID 76849218

IUPACtert-butyl N-(2-amino-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H18N2O2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyUBNVNWVDWSIMOE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl N-(2-amino-3-methylphenyl)carbamate

tert-butyl N-(2-amino-3-methylphenyl)carbamate (PubChem CID 76849218) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(2-amino-3-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-3-methylphenyl)carbamate
PubChem CID76849218
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(2-amino-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C12H18N2O2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyUBNVNWVDWSIMOE-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.92
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

tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(2-amino-4-bromo-3-fluorophenyl)carbamate
CID 142620655
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-3-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-3-methylphenyl)carbamate (CID 76849218) is tert-butyl N-(2-amino-3-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-3-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl N-(2-amino-3-methylphenyl)carbamate?
The InChIKey is UBNVNWVDWSIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-amino-3-methylphenyl)carbamate?
tert-butyl N-(2-amino-3-methylphenyl)carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.92, 1 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-3-methylphenyl)carbamate is sourced from PubChem (CID 76849218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).