1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine

C13H15BrF3N — CID 105049563

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
SMILESCNC(c1cc(C(F)(F)F)ccc1Br)C1CCC1
InChIInChI=1S/C13H15BrF3N/c1-18-12(8-3-2-4-8)10-7-9(13(15,16)17)5-6-11(10)14/h5-8,12,18H,2-4H2,1H3
InChIKeyUGFYIPRMYCTCDN-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.53
Rot. Bonds3

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine

1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine (PubChem CID 105049563) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
PubChem CID105049563
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine
SMILESCNC(c1cc(C(F)(F)F)ccc1Br)C1CCC1
InChIInChI=1S/C13H15BrF3N/c1-18-12(8-3-2-4-8)10-7-9(13(15,16)17)5-6-11(10)14/h5-8,12,18H,2-4H2,1H3
InChIKeyUGFYIPRMYCTCDN-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclobutylethyl]hydrazine
CID 105310132
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
CID 104987940
1-[(R)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;dihydrochloride
CID 171291596
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine (CID 105049563) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine is CNC(c1cc(C(F)(F)F)ccc1Br)C1CCC1.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine?
The InChIKey is UGFYIPRMYCTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c1-18-12(8-3-2-4-8)10-7-9(13(15,16)17)5-6-11(10)14/h5-8,12,18H,2-4H2,1H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine?
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine has a molecular weight of 322.17 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclobutyl-N-methylmethanamine is sourced from PubChem (CID 105049563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).