[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine

C12H13BrF3N — CID 43825557

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
SMILESNC(c1cc(C(F)(F)F)ccc1Br)C1CCC1
InChIInChI=1S/C12H13BrF3N/c13-10-5-4-8(12(14,15)16)6-9(10)11(17)7-2-1-3-7/h4-7,11H,1-3,17H2
InChIKeyYRXUVBLASMDLIC-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.27
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine

[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine (PubChem CID 43825557) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
PubChem CID43825557
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
SMILESNC(c1cc(C(F)(F)F)ccc1Br)C1CCC1
InChIInChI=1S/C12H13BrF3N/c13-10-5-4-8(12(14,15)16)6-9(10)11(17)7-2-1-3-7/h4-7,11H,1-3,17H2
InChIKeyYRXUVBLASMDLIC-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine 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

[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
CID 104987940
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
CID 105049563
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
CID 105310132

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine (CID 43825557) is [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine is NC(c1cc(C(F)(F)F)ccc1Br)C1CCC1.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine?
The InChIKey is YRXUVBLASMDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-5-4-8(12(14,15)16)6-9(10)11(17)7-2-1-3-7/h4-7,11H,1-3,17H2.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine?
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine has a molecular weight of 308.14 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine is sourced from PubChem (CID 43825557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).