[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate

C12H16BrNO2 — CID 151939532

IUPAC[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(Br)cc1)OC(N)=O
InChIInChI=1S/C12H16BrNO2/c1-12(2,16-11(14)15)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyTUJBXACJBURNCP-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.26
Rot. Bonds4

About [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate

[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate (PubChem CID 151939532) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
PubChem CID151939532
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(Br)cc1)OC(N)=O
InChIInChI=1S/C12H16BrNO2/c1-12(2,16-11(14)15)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyTUJBXACJBURNCP-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
2-amino-4-(4-bromophenyl)-2-methylbutanoic acid
CID 56687127
[4-(5-bromo-2-ethylsulfanylphenyl)-2-methylbutan-2-yl] carbamate
CID 151876643
[5-(4-bromo-N-ethylanilino)-2-methyl-5-oxopentan-2-yl] carbamate
CID 174614423
[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
CID 151477380
[1-(4-bromophenyl)-2-methylpropan-2-yl] acetate
CID 154708023
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
CID 174936365
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
CID 151804979
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
(4-bromophenyl)methyl 2-methylhexan-2-yl carbonate
CID 152845231
1-bromo-4-(3-fluoro-3-methylbutyl)benzene
CID 84704942
1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate (CID 151939532) is [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate is CC(C)(CCc1ccc(Br)cc1)OC(N)=O.
What is the InChIKey of [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate?
The InChIKey is TUJBXACJBURNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(2,16-11(14)15)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate?
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate has a molecular weight of 286.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 151939532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).