tert-butyl N-(5-amino-2-methylphenyl)carbamate

C12H18N2O2 — CID 10799065

IUPACtert-butyl N-(5-amino-2-methylphenyl)carbamate
SMILESCc1ccc(N)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(13)7-10(8)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyDLOHVUPBQBCZGE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl N-(5-amino-2-methylphenyl)carbamate

tert-butyl N-(5-amino-2-methylphenyl)carbamate (PubChem CID 10799065) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2-methylphenyl)carbamate
PubChem CID10799065
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl N-(5-amino-2-methylphenyl)carbamate
SMILESCc1ccc(N)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-8-5-6-9(13)7-10(8)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyDLOHVUPBQBCZGE-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-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
CID 68786363
(3R)-4-(5-amino-2-methylanilino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 126510981
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
CID 126755429
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
tert-butyl N-[5-(1-aminocyclopentyl)-2-methylphenyl]carbamate
CID 117112807
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-2-methylphenyl)carbamate (CID 10799065) is tert-butyl N-(5-amino-2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2-methylphenyl)carbamate is Cc1ccc(N)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-2-methylphenyl)carbamate?
The InChIKey is DLOHVUPBQBCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-6-9(13)7-10(8)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-(5-amino-2-methylphenyl)carbamate?
tert-butyl N-(5-amino-2-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-(5-amino-2-methylphenyl)carbamate is sourced from PubChem (CID 10799065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).