1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine

C9H9BrF3N — CID 43825554

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3
InChIKeyIPLZHOOBPJFPAC-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.49
Rot. Bonds1

About 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine

1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43825554) has the molecular formula C9H9BrF3N and a molecular weight of 268.08 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID43825554
Molecular FormulaC9H9BrF3N
Molecular Weight268.08 g/mol
Exact Mass266.99
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3
InChIKeyIPLZHOOBPJFPAC-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine (CID 43825554) is 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine is CC(N)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is IPLZHOOBPJFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-5H,14H2,1H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine?
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 268.08 g/mol, XLogP of 3.49, 1 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]ethanamine is sourced from PubChem (CID 43825554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).