1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 115810390

IUPAC1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(9-2-4-12(16)13(17)7-9)8-10-6-11(18)3-5-14(10)19/h2-7,15,20H,8H2,1H3
InChIKeyYLDCVIQYWGPDOF-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115810390) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115810390
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(9-2-4-12(16)13(17)7-9)8-10-6-11(18)3-5-14(10)19/h2-7,15,20H,8H2,1H3
InChIKeyYLDCVIQYWGPDOF-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
[1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288913
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 115810390) is 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is YLDCVIQYWGPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-15(9-2-4-12(16)13(17)7-9)8-10-6-11(18)3-5-14(10)19/h2-7,15,20H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 360.63 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115810390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).