1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine

C10H11BrF3N — CID 74890477

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c1-15(2)6-7-5-8(10(12,13)14)3-4-9(7)11/h3-5H,6H2,1-2H3
InChIKeyJSEUXQGFCPBRIF-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.53
Rot. Bonds2

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine

1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 74890477) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID74890477
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c1-15(2)6-7-5-8(10(12,13)14)3-4-9(7)11/h3-5H,6H2,1-2H3
InChIKeyJSEUXQGFCPBRIF-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine (CID 74890477) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is JSEUXQGFCPBRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-15(2)6-7-5-8(10(12,13)14)3-4-9(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine?
1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 74890477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).