N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine

C12H13BrF3NO — CID 107342333

IUPACN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
SMILESFC(F)(F)Oc1ccc(CNC2CCC2)cc1Br
InChIInChI=1S/C12H13BrF3NO/c13-10-6-8(7-17-9-2-1-3-9)4-5-11(10)18-12(14,15)16/h4-6,9,17H,1-3,7H2
InChIKeyHZAUQYVZKJAAFJ-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.99
Rot. Bonds4

About N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine (PubChem CID 107342333) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
PubChem CID107342333
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC NameN-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
SMILESFC(F)(F)Oc1ccc(CNC2CCC2)cc1Br
InChIInChI=1S/C12H13BrF3NO/c13-10-6-8(7-17-9-2-1-3-9)4-5-11(10)18-12(14,15)16/h4-6,9,17H,1-3,7H2
InChIKeyHZAUQYVZKJAAFJ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-bromo-4-(trifluoromethoxy)phenyl]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-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]thian-3-amine
CID 107342517
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 107342348
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 107342298
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 107342453
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
CID 102714913
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine?
The IUPAC name of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine (CID 107342333) is N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine is FC(F)(F)Oc1ccc(CNC2CCC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine?
The InChIKey is HZAUQYVZKJAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-10-6-8(7-17-9-2-1-3-9)4-5-11(10)18-12(14,15)16/h4-6,9,17H,1-3,7H2.
What are the key properties of N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine?
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine has a molecular weight of 324.14 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine is sourced from PubChem (CID 107342333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).