1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

C15H13Br2F2N — CID 107973909

IUPAC1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2F2N/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(18)2-3-14(9)19/h2-6,8,15,20H,7H2,1H3
InChIKeyRZKOXDQHZABVET-UHFFFAOYSA-N
MW405.08 g/mol
LogP4.99
Rot. Bonds4

About 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 107973909) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID107973909
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2F2N/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(18)2-3-14(9)19/h2-6,8,15,20H,7H2,1H3
InChIKeyRZKOXDQHZABVET-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(3-bromo-5-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840406
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 107973909) is 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is RZKOXDQHZABVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-20-15(10-4-11(16)8-12(17)5-10)7-9-6-13(18)2-3-14(9)19/h2-6,8,15,20H,7H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 405.08 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107973909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).