N-[(2,5-dibromophenyl)methyl]cyclobutanamine

C11H13Br2N — CID 130682714

IUPACN-[(2,5-dibromophenyl)methyl]cyclobutanamine
SMILESBrc1ccc(Br)c(CNC2CCC2)c1
InChIInChI=1S/C11H13Br2N/c12-9-4-5-11(13)8(6-9)7-14-10-2-1-3-10/h4-6,10,14H,1-3,7H2
InChIKeyXUEMFFWJHJFLBF-UHFFFAOYSA-N
MW319.04 g/mol
LogP3.85
Rot. Bonds3

About N-[(2,5-dibromophenyl)methyl]cyclobutanamine

N-[(2,5-dibromophenyl)methyl]cyclobutanamine (PubChem CID 130682714) has the molecular formula C11H13Br2N and a molecular weight of 319.04 g/mol. Its IUPAC name is N-[(2,5-dibromophenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2,5-dibromophenyl)methyl]cyclobutanamine
PubChem CID130682714
Molecular FormulaC11H13Br2N
Molecular Weight319.04 g/mol
Exact Mass316.94
IUPAC NameN-[(2,5-dibromophenyl)methyl]cyclobutanamine
SMILESBrc1ccc(Br)c(CNC2CCC2)c1
InChIInChI=1S/C11H13Br2N/c12-9-4-5-11(13)8(6-9)7-14-10-2-1-3-10/h4-6,10,14H,1-3,7H2
InChIKeyXUEMFFWJHJFLBF-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-dibromophenyl)methyl]cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]cyclobutanamine
CID 62415523
4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114061823
N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
CID 178046560
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromophenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(2,5-dibromophenyl)methyl]cyclobutanamine (CID 130682714) is N-[(2,5-dibromophenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2,5-dibromophenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2,5-dibromophenyl)methyl]cyclobutanamine is Brc1ccc(Br)c(CNC2CCC2)c1.
What is the InChIKey of N-[(2,5-dibromophenyl)methyl]cyclobutanamine?
The InChIKey is XUEMFFWJHJFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N/c12-9-4-5-11(13)8(6-9)7-14-10-2-1-3-10/h4-6,10,14H,1-3,7H2.
What are the key properties of N-[(2,5-dibromophenyl)methyl]cyclobutanamine?
N-[(2,5-dibromophenyl)methyl]cyclobutanamine has a molecular weight of 319.04 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromophenyl)methyl]cyclobutanamine is sourced from PubChem (CID 130682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).