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

C15H13Br2F2N — CID 107539107

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H13Br2F2N/c1-20-13(8-9-3-2-4-10(16)7-9)11-5-6-12(18)15(19)14(11)17/h2-7,13,20H,8H2,1H3
InChIKeyPBCLHAXPMOBFGY-UHFFFAOYSA-N
MW405.08 g/mol
LogP4.99
Rot. Bonds4

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

1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine (PubChem CID 107539107) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
PubChem CID107539107
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C15H13Br2F2N/c1-20-13(8-9-3-2-4-10(16)7-9)11-5-6-12(18)15(19)14(11)17/h2-7,13,20H,8H2,1H3
InChIKeyPBCLHAXPMOBFGY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107539154
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylethanamine
CID 81045128
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 107539162
1-(2-bromo-3,4-difluorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 107539014

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine (CID 107539107) is 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine?
The InChIKey is PBCLHAXPMOBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-20-13(8-9-3-2-4-10(16)7-9)11-5-6-12(18)15(19)14(11)17/h2-7,13,20H,8H2,1H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine?
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-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-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 107539107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).