1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine

C14H11BrF3N — CID 106647905

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrF3N/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6,13H,7,19H2
InChIKeyYNVOFQBVLRUMDM-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.11
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine (PubChem CID 106647905) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
PubChem CID106647905
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
SMILESNC(Cc1c(F)cccc1F)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrF3N/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6,13H,7,19H2
InChIKeyYNVOFQBVLRUMDM-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
(1R)-1-(3-bromo-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171203684

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine (CID 106647905) is 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine is NC(Cc1c(F)cccc1F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine?
The InChIKey is YNVOFQBVLRUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-10-4-1-3-8(14(10)18)13(19)7-9-11(16)5-2-6-12(9)17/h1-6,13H,7,19H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine?
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 106647905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).