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

C15H12BrF4N — CID 106944913

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrF4N/c1-21-13(7-8-2-4-10(17)12(19)6-8)14-11(18)5-3-9(16)15(14)20/h2-6,13,21H,7H2,1H3
InChIKeyGAEWDLLVIZPFED-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.51
Rot. Bonds4

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

1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine (PubChem CID 106944913) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
PubChem CID106944913
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrF4N/c1-21-13(7-8-2-4-10(17)12(19)6-8)14-11(18)5-3-9(16)15(14)20/h2-6,13,21H,7H2,1H3
InChIKeyGAEWDLLVIZPFED-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.51
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

1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
CID 106944871
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(3-bromo-4-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115818417
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
[1-(2-bromo-5-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105330420

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine (CID 106944913) is 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(F)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The InChIKey is GAEWDLLVIZPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-21-13(7-8-2-4-10(17)12(19)6-8)14-11(18)5-3-9(16)15(14)20/h2-6,13,21H,7H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine?
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine has a molecular weight of 362.16 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 106944913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).