1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C12H14Br2F3NO — CID 103207295

IUPAC1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2F3NO/c1-2-18-11(6-19-7-12(15,16)17)9-5-8(13)3-4-10(9)14/h3-5,11,18H,2,6-7H2,1H3
InChIKeyQRCJFXVFYZUFPV-UHFFFAOYSA-N
MW405.05 g/mol
LogP4.44
Rot. Bonds6

About 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207295) has the molecular formula C12H14Br2F3NO and a molecular weight of 405.05 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207295
Molecular FormulaC12H14Br2F3NO
Molecular Weight405.05 g/mol
Exact Mass402.94
IUPAC Name1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2F3NO/c1-2-18-11(6-19-7-12(15,16)17)9-5-8(13)3-4-10(9)14/h3-5,11,18H,2,6-7H2,1H3
InChIKeyQRCJFXVFYZUFPV-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207670
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898
1-(2,5-dibromophenyl)-N-ethylbut-3-yn-1-amine
CID 114977656
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207295) is 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QRCJFXVFYZUFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2F3NO/c1-2-18-11(6-19-7-12(15,16)17)9-5-8(13)3-4-10(9)14/h3-5,11,18H,2,6-7H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 405.05 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).