tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate

C16H22BrNO2 — CID 130067133

IUPACtert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO2/c1-15(2,3)20-14(19)18-13-9-16(4,5)12-7-6-10(17)8-11(12)13/h6-8,13H,9H2,1-5H3,(H,18,19)
InChIKeyCFEBLSJPVKZTSH-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.70
Rot. Bonds1

About tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate

tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate (PubChem CID 130067133) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
PubChem CID130067133
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Nametert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO2/c1-15(2,3)20-14(19)18-13-9-16(4,5)12-7-6-10(17)8-11(12)13/h6-8,13H,9H2,1-5H3,(H,18,19)
InChIKeyCFEBLSJPVKZTSH-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130119912
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
[(3R)-7-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl] tert-butyl carbonate
CID 59627117
tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate
CID 121346432
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
tert-butyl N-[(3R)-8-bromo-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
CID 130950969
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
tert-butyl N-[(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)methyl]carbamate
CID 118996723
tert-butyl N-(1-benzylsulfonyl-7-bromo-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 151395000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate (CID 130067133) is tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate is CC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(Br)cc21.
What is the InChIKey of tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
The InChIKey is CFEBLSJPVKZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-15(2,3)20-14(19)18-13-9-16(4,5)12-7-6-10(17)8-11(12)13/h6-8,13H,9H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate?
tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate has a molecular weight of 340.26 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 130067133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).