1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

C17H19BrFN — CID 107985511

IUPAC1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1cccc(C)c1Br
InChIInChI=1S/C17H19BrFN/c1-11-7-8-14(19)9-13(11)10-16(20-3)15-6-4-5-12(2)17(15)18/h4-9,16,20H,10H2,1-3H3
InChIKeyRJHGVQYGMHRDCU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.71
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 107985511) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID107985511
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1cccc(C)c1Br
InChIInChI=1S/C17H19BrFN/c1-11-7-8-14(19)9-13(11)10-16(20-3)15-6-4-5-12(2)17(15)18/h4-9,16,20H,10H2,1-3H3
InChIKeyRJHGVQYGMHRDCU-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-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 107985511) is 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is RJHGVQYGMHRDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-7-8-14(19)9-13(11)10-16(20-3)15-6-4-5-12(2)17(15)18/h4-9,16,20H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2-bromo-3-methylphenyl)-2-(5-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-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 107985511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).