1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine

C11H13BrF3N — CID 115781012

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H13BrF3N/c1-3-16-7(2)8-4-5-10(12)9(6-8)11(13,14)15/h4-7,16H,3H2,1-2H3
InChIKeyJJPDQBIVJNQEIK-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine

1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine (PubChem CID 115781012) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
PubChem CID115781012
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H13BrF3N/c1-3-16-7(2)8-4-5-10(12)9(6-8)11(13,14)15/h4-7,16H,3H2,1-2H3
InChIKeyJJPDQBIVJNQEIK-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethyl-3-methylidenepentan-1-amine
CID 105006031
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylheptan-1-amine
CID 115833562
1-[4-bromo-3-(trifluoromethyl)phenyl]-N,2-dimethylbutan-1-amine
CID 105017562
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropyl-N-ethylpropan-1-amine
CID 104995067
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037417
1-[4-bromo-3-(trifluoromethyl)phenyl]propan-1-ol
CID 115787663
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325831
2-bromo-4-[1-(ethylamino)ethyl]phenol
CID 62910509
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
CID 115832612
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006170
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine (CID 115781012) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine?
The InChIKey is JJPDQBIVJNQEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c1-3-16-7(2)8-4-5-10(12)9(6-8)11(13,14)15/h4-7,16H,3H2,1-2H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine?
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine has a molecular weight of 296.13 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115781012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).