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

C12H16BrNO2 — CID 57428949

IUPACtert-butyl N-(2-bromo-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C12H16BrNO2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyFGOFQNKFJKEIDE-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.10
Rot. Bonds1

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

tert-butyl N-(2-bromo-3-methylphenyl)carbamate (PubChem CID 57428949) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-3-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-3-methylphenyl)carbamate
PubChem CID57428949
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Nametert-butyl N-(2-bromo-3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C12H16BrNO2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyFGOFQNKFJKEIDE-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2-bromo-4-methylphenyl)carbamate
CID 692185
N-(tert-Butoxycarbonyl)-3-bromoaniline
CID 2757254
4-Bromoaniline, N-BOC protected
CID 2773608
N-(tert-Butoxycarbonyl)-2-bromoaniline
CID 3571360
N-(4-Bromo-3-methylphenyl)acetamide
CID 738336
tert-butyl N-(2-methylphenyl)carbamate
CID 9815662
Tert-butyl (4-ethenylphenyl)carbamate
CID 11736129
Acetamide, N-(4-bromo-3-ethylphenyl)-
CID 104081
tert-Butyl (5-bromo-2-methylphenyl)carbamate
CID 10779535
tert-Butyl 3-(bromomethyl)phenylcarbamate
CID 14523558
tert-butyl N-[4-bromo-3-(trifluoromethyl)phenyl]carbamate
CID 65142878
N-(2-bromo-3-methylphenyl)formamide
CID 81706864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-3-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-3-methylphenyl)carbamate (CID 57428949) is tert-butyl N-(2-bromo-3-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-3-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)(C)C)c1Br.
What is the InChIKey of tert-butyl N-(2-bromo-3-methylphenyl)carbamate?
The InChIKey is FGOFQNKFJKEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-bromo-3-methylphenyl)carbamate?
tert-butyl N-(2-bromo-3-methylphenyl)carbamate has a molecular weight of 286.17 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-3-methylphenyl)carbamate is sourced from PubChem (CID 57428949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).