4-(2-bromophenyl)-2-methylbutan-2-amine

C11H16BrN — CID 82293291

IUPAC4-(2-bromophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyRQAQQCUJYRUJFQ-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.12
Rot. Bonds3

About 4-(2-bromophenyl)-2-methylbutan-2-amine

4-(2-bromophenyl)-2-methylbutan-2-amine (PubChem CID 82293291) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-methylbutan-2-amine
PubChem CID82293291
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-(2-bromophenyl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
InChIKeyRQAQQCUJYRUJFQ-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(2-bromophenyl)-2-methylbutan-2-amine (CID 82293291) is 4-(2-bromophenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-2-methylbutan-2-amine is CC(C)(N)CCc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-methylbutan-2-amine?
The InChIKey is RQAQQCUJYRUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-2-methylbutan-2-amine?
4-(2-bromophenyl)-2-methylbutan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 82293291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).