2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine

C10H11BrF3N — CID 117108110

IUPAC2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-15-3-2-7-4-8(10(12,13)14)6-9(11)5-7/h4-6,15H,2-3H2,1H3
InChIKeyWYWXWYVOGUJFBN-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.23
Rot. Bonds3

About 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine

2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 117108110) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID117108110
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-15-3-2-7-4-8(10(12,13)14)6-9(11)5-7/h4-6,15H,2-3H2,1H3
InChIKeyWYWXWYVOGUJFBN-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-bromo-4-[3-bromo-5-(trifluoromethyl)phenyl]butan-2-one
CID 65489655
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
CID 138985674
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
3-[3-bromo-5-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738241
1-bromo-3-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616516
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
methyl 3-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloropropanoate
CID 83197622
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentan-3-one
CID 65489263
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine (CID 117108110) is 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine is CNCCc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is WYWXWYVOGUJFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-15-3-2-7-4-8(10(12,13)14)6-9(11)5-7/h4-6,15H,2-3H2,1H3.
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine?
2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).