2-bromo-6-cyclopropylaniline

C9H10BrN — CID 155970280

IUPAC2-bromo-6-cyclopropylaniline
SMILESNc1c(Br)cccc1C1CC1
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1-3,6H,4-5,11H2
InChIKeyUXVQOJGJRAEOTL-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.91
Rot. Bonds1

About 2-bromo-6-cyclopropylaniline

2-bromo-6-cyclopropylaniline (PubChem CID 155970280) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 2-bromo-6-cyclopropylaniline.

Molecular Properties

Compound Name2-bromo-6-cyclopropylaniline
PubChem CID155970280
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name2-bromo-6-cyclopropylaniline
SMILESNc1c(Br)cccc1C1CC1
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1-3,6H,4-5,11H2
InChIKeyUXVQOJGJRAEOTL-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-cyclopropylaniline?
The IUPAC name of 2-bromo-6-cyclopropylaniline (CID 155970280) is 2-bromo-6-cyclopropylaniline.
What is the SMILES notation for 2-bromo-6-cyclopropylaniline?
The canonical SMILES for 2-bromo-6-cyclopropylaniline is Nc1c(Br)cccc1C1CC1.
What is the InChIKey of 2-bromo-6-cyclopropylaniline?
The InChIKey is UXVQOJGJRAEOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-3-1-2-7(9(8)11)6-4-5-6/h1-3,6H,4-5,11H2.
What are the key properties of 2-bromo-6-cyclopropylaniline?
2-bromo-6-cyclopropylaniline has a molecular weight of 212.09 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-cyclopropylaniline is sourced from PubChem (CID 155970280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).