1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

C17H19BrFN — CID 105050985

IUPAC1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cccc(Br)c1C
InChIInChI=1S/C17H19BrFN/c1-11-9-14(19)8-7-13(11)10-17(20-3)15-5-4-6-16(18)12(15)2/h4-9,17,20H,10H2,1-3H3
InChIKeyDVYZVFMTOXSXRO-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine

1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105050985) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105050985
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cccc(Br)c1C
InChIInChI=1S/C17H19BrFN/c1-11-9-14(19)8-7-13(11)10-17(20-3)15-5-4-6-16(18)12(15)2/h4-9,17,20H,10H2,1-3H3
InChIKeyDVYZVFMTOXSXRO-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine (CID 105050985) is 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is DVYZVFMTOXSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-9-14(19)8-7-13(11)10-17(20-3)15-5-4-6-16(18)12(15)2/h4-9,17,20H,10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine?
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.71, 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-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105050985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).