[1-(4-bromophenyl)cyclobutyl]methanamine

C11H14BrN — CID 28937844

IUPAC[1-(4-bromophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H14BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKeyVJQZVOUMGNRLJU-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.83
Rot. Bonds2

About [1-(4-bromophenyl)cyclobutyl]methanamine

[1-(4-bromophenyl)cyclobutyl]methanamine (PubChem CID 28937844) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclobutyl]methanamine
PubChem CID28937844
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name[1-(4-bromophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H14BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKeyVJQZVOUMGNRLJU-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-bromophenyl)cyclobutyl]methanamine (CID 28937844) is [1-(4-bromophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)cyclobutyl]methanamine is NCC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of [1-(4-bromophenyl)cyclobutyl]methanamine?
The InChIKey is VJQZVOUMGNRLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2.
What are the key properties of [1-(4-bromophenyl)cyclobutyl]methanamine?
[1-(4-bromophenyl)cyclobutyl]methanamine has a molecular weight of 240.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 28937844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).