N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine

C11H13BrClN — CID 103793012

IUPACN-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
SMILESClc1ccc(Br)cc1CNC1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-4-5-11(13)8(6-9)7-14-10-2-1-3-10/h4-6,10,14H,1-3,7H2
InChIKeyRXTOPTUGCAKNGI-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.74
Rot. Bonds3

About N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine

N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine (PubChem CID 103793012) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
PubChem CID103793012
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
SMILESClc1ccc(Br)cc1CNC1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-4-5-11(13)8(6-9)7-14-10-2-1-3-10/h4-6,10,14H,1-3,7H2
InChIKeyRXTOPTUGCAKNGI-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(5-bromo-2-chlorophenyl)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]oxan-4-amine
CID 115732123
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(5-bromo-2-chlorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122570
N-[(5-bromo-2-chlorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103793219
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
CID 17296024
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine (CID 103793012) is N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine is Clc1ccc(Br)cc1CNC1CCC1.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine?
The InChIKey is RXTOPTUGCAKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/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-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine?
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine has a molecular weight of 274.59 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine is sourced from PubChem (CID 103793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).