2-(2-bromo-4,6-dimethylphenyl)propan-2-amine

C11H16BrN — CID 84801577

IUPAC2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(C)(C)N)c(Br)c1
InChIInChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3
InChIKeyIBWPOHFKASNUIY-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.26
Rot. Bonds1

About 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine

2-(2-bromo-4,6-dimethylphenyl)propan-2-amine (PubChem CID 84801577) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
PubChem CID84801577
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(C)(C)N)c(Br)c1
InChIInChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3
InChIKeyIBWPOHFKASNUIY-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine (CID 84801577) is 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine is Cc1cc(C)c(C(C)(C)N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The InChIKey is IBWPOHFKASNUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
2-(2-bromo-4,6-dimethylphenyl)propan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 84801577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).