benzene;N-bromo-2-methylpropan-2-amine

C10H16BrN — CID 174843240

IUPACbenzene;N-bromo-2-methylpropan-2-amine
SMILESCC(C)(C)NBr.c1ccccc1
InChIInChI=1S/C6H6.C4H10BrN/c1-2-4-6-5-3-1;1-4(2,3)6-5/h1-6H;6H,1-3H3
InChIKeyKQCZDBXLJTZVMN-UHFFFAOYSA-N
MW230.15 g/mol
LogP3.37
Rot. Bonds

About benzene;N-bromo-2-methylpropan-2-amine

benzene;N-bromo-2-methylpropan-2-amine (PubChem CID 174843240) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is benzene;N-bromo-2-methylpropan-2-amine.

Molecular Properties

Compound Namebenzene;N-bromo-2-methylpropan-2-amine
PubChem CID174843240
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Namebenzene;N-bromo-2-methylpropan-2-amine
SMILESCC(C)(C)NBr.c1ccccc1
InChIInChI=1S/C6H6.C4H10BrN/c1-2-4-6-5-3-1;1-4(2,3)6-5/h1-6H;6H,1-3H3
InChIKeyKQCZDBXLJTZVMN-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;N-bromo-2-methylpropan-2-amine?
The IUPAC name of benzene;N-bromo-2-methylpropan-2-amine (CID 174843240) is benzene;N-bromo-2-methylpropan-2-amine.
What is the SMILES notation for benzene;N-bromo-2-methylpropan-2-amine?
The canonical SMILES for benzene;N-bromo-2-methylpropan-2-amine is CC(C)(C)NBr.c1ccccc1.
What is the InChIKey of benzene;N-bromo-2-methylpropan-2-amine?
The InChIKey is KQCZDBXLJTZVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10BrN/c1-2-4-6-5-3-1;1-4(2,3)6-5/h1-6H;6H,1-3H3.
What are the key properties of benzene;N-bromo-2-methylpropan-2-amine?
benzene;N-bromo-2-methylpropan-2-amine has a molecular weight of 230.15 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-bromo-2-methylpropan-2-amine is sourced from PubChem (CID 174843240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).