1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

C15H14BrF2N — CID 82820253

IUPAC1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2ccccc2Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-8-12(17)13(14(9)18)15(2,19)10-5-3-4-6-11(10)16/h3-8H,19H2,1-2H3
InChIKeyGVABXLGSHGSMER-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.26
Rot. Bonds2

About 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 82820253) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID82820253
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2ccccc2Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-8-12(17)13(14(9)18)15(2,19)10-5-3-4-6-11(10)16/h3-8H,19H2,1-2H3
InChIKeyGVABXLGSHGSMER-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
1-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820097
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
1-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62787303
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
1-(3-bromo-4-fluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 63408536
1-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62787298

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 82820253) is 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(C)(N)c2ccccc2Br)c1F.
What is the InChIKey of 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is GVABXLGSHGSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-7-8-12(17)13(14(9)18)15(2,19)10-5-3-4-6-11(10)16/h3-8H,19H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 82820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).