1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H18BrF2N — CID 115829272

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2c(F)cc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H18BrF2N/c1-9-4-10(2)13(11(3)5-9)8-16(21)17-14(19)6-12(18)7-15(17)20/h4-7,16H,8,21H2,1-3H3
InChIKeyGIASDPKMIGZHLI-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.90
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115829272) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115829272
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2c(F)cc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H18BrF2N/c1-9-4-10(2)13(11(3)5-9)8-16(21)17-14(19)6-12(18)7-15(17)20/h4-7,16H,8,21H2,1-3H3
InChIKeyGIASDPKMIGZHLI-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
CID 115806943
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115829272) is 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2c(F)cc(Br)cc2F)c(C)c1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GIASDPKMIGZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-9-4-10(2)13(11(3)5-9)8-16(21)17-14(19)6-12(18)7-15(17)20/h4-7,16H,8,21H2,1-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 354.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115829272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).