2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

C14H10BrF4N — CID 105020643

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-14-7(2-1-3-9(14)17)4-12(20)13-10(18)5-8(16)6-11(13)19/h1-3,5-6,12H,4,20H2
InChIKeyMHTGFEHKSGDGNM-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 105020643) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID105020643
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10BrF4N/c15-14-7(2-1-3-9(14)17)4-12(20)13-10(18)5-8(16)6-11(13)19/h1-3,5-6,12H,4,20H2
InChIKeyMHTGFEHKSGDGNM-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105172090
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine (CID 105020643) is 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is NC(Cc1cccc(F)c1Br)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is MHTGFEHKSGDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c15-14-7(2-1-3-9(14)17)4-12(20)13-10(18)5-8(16)6-11(13)19/h1-3,5-6,12H,4,20H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 348.14 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 105020643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).