2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine

C16H15Br2F2N — CID 106269029

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H15Br2F2N/c1-9-3-4-10(7-13(9)18)15(21-2)8-11-14(19)6-5-12(17)16(11)20/h3-7,15,21H,8H2,1-2H3
InChIKeyCSRHPQMVKLBETP-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.30
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine (PubChem CID 106269029) has the molecular formula C16H15Br2F2N and a molecular weight of 419.11 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
PubChem CID106269029
Molecular FormulaC16H15Br2F2N
Molecular Weight419.11 g/mol
Exact Mass416.95
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H15Br2F2N/c1-9-3-4-10(7-13(9)18)15(21-2)8-11-14(19)6-5-12(17)16(11)20/h3-7,15,21H,8H2,1-2H3
InChIKeyCSRHPQMVKLBETP-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.11
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 106274091
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
2-(3-bromo-2,6-difluorophenyl)-1-(2-iodo-3-methylphenyl)-N-methylethanamine
CID 106274245
1-(3-bromo-4-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840570
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 106274076
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 114932751

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine (CID 106269029) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine is CNC(Cc1c(F)ccc(Br)c1F)c1ccc(C)c(Br)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine?
The InChIKey is CSRHPQMVKLBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F2N/c1-9-3-4-10(7-13(9)18)15(21-2)8-11-14(19)6-5-12(17)16(11)20/h3-7,15,21H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine has a molecular weight of 419.11 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 106269029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).