[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium

C10H15BrN+ — CID 156884808

IUPAC[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
SMILESCC(C)([NH3+])Cc1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3/p+1
InChIKeyRWOQONCOSDNAGA-UHFFFAOYSA-O
MW229.14 g/mol
LogP2.01
Rot. Bonds2

About [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium

[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium (PubChem CID 156884808) has the molecular formula C10H15BrN+ and a molecular weight of 229.14 g/mol. Its IUPAC name is [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium.

Molecular Properties

Compound Name[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
PubChem CID156884808
Molecular FormulaC10H15BrN+
Molecular Weight229.14 g/mol
Exact Mass228.04
IUPAC Name[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
SMILESCC(C)([NH3+])Cc1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3/p+1
InChIKeyRWOQONCOSDNAGA-UHFFFAOYSA-O
XLogP2.01
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium?
The IUPAC name of [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium (CID 156884808) is [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium.
What is the SMILES notation for [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium?
The canonical SMILES for [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium is CC(C)([NH3+])Cc1ccccc1Br.
What is the InChIKey of [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium?
The InChIKey is RWOQONCOSDNAGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14BrN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3/p+1.
What are the key properties of [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium?
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium has a molecular weight of 229.14 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-2-methylpropan-2-yl]azanium is sourced from PubChem (CID 156884808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).