2-bromo-N-(cyclobutylmethyl)aniline

C11H14BrN — CID 65457106

IUPAC2-bromo-N-(cyclobutylmethyl)aniline
SMILESBrc1ccccc1NCC1CCC1
InChIInChI=1S/C11H14BrN/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2
InChIKeyBIIRWJRJPXZKQH-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-N-(cyclobutylmethyl)aniline

2-bromo-N-(cyclobutylmethyl)aniline (PubChem CID 65457106) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)aniline
PubChem CID65457106
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-bromo-N-(cyclobutylmethyl)aniline
SMILESBrc1ccccc1NCC1CCC1
InChIInChI=1S/C11H14BrN/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2
InChIKeyBIIRWJRJPXZKQH-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclobutylmethyl)aniline?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)aniline (CID 65457106) is 2-bromo-N-(cyclobutylmethyl)aniline.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)aniline?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)aniline is Brc1ccccc1NCC1CCC1.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)aniline?
The InChIKey is BIIRWJRJPXZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2.
What are the key properties of 2-bromo-N-(cyclobutylmethyl)aniline?
2-bromo-N-(cyclobutylmethyl)aniline has a molecular weight of 240.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)aniline is sourced from PubChem (CID 65457106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).