2-(2-bromophenyl)propan-2-amine

C9H12BrN — CID 11195239

IUPAC2-(2-bromophenyl)propan-2-amine
SMILESCC(C)(N)c1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
InChIKeyCKAXYTZRQQIOAL-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.64
Rot. Bonds1

About 2-(2-bromophenyl)propan-2-amine

2-(2-bromophenyl)propan-2-amine (PubChem CID 11195239) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)propan-2-amine
PubChem CID11195239
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-(2-bromophenyl)propan-2-amine
SMILESCC(C)(N)c1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
InChIKeyCKAXYTZRQQIOAL-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)propan-2-amine (CID 11195239) is 2-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)propan-2-amine is CC(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)propan-2-amine?
The InChIKey is CKAXYTZRQQIOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)propan-2-amine?
2-(2-bromophenyl)propan-2-amine has a molecular weight of 214.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 11195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).