2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine

C12H13BrF3N — CID 115512206

IUPAC2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrF3N/c13-10-6-9(12(14,15)16)4-3-8(10)5-11(17)7-1-2-7/h3-4,6-7,11H,1-2,5,17H2
InChIKeyNQXQGPHUSAIBFA-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine

2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine (PubChem CID 115512206) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine
PubChem CID115512206
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrF3N/c13-10-6-9(12(14,15)16)4-3-8(10)5-11(17)7-1-2-7/h3-4,6-7,11H,1-2,5,17H2
InChIKeyNQXQGPHUSAIBFA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(2-bromo-4-methylpentyl)-4-(trifluoromethyl)benzene
CID 115512253
N-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethane-1,2-diamine
CID 113326006
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117112045
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
CID 104987940
1-[2-bromo-4-(trifluoromethyl)phenyl]-N-propylpropan-2-amine
CID 115512198
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine?
The IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine (CID 115512206) is 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine.
What is the SMILES notation for 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine?
The canonical SMILES for 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine is NC(Cc1ccc(C(F)(F)F)cc1Br)C1CC1.
What is the InChIKey of 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine?
The InChIKey is NQXQGPHUSAIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-6-9(12(14,15)16)4-3-8(10)5-11(17)7-1-2-7/h3-4,6-7,11H,1-2,5,17H2.
What are the key properties of 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine?
2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine has a molecular weight of 308.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(trifluoromethyl)phenyl]-1-cyclopropylethanamine is sourced from PubChem (CID 115512206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).