1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

C17H19BrFN — CID 63527626

IUPAC1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-10-14(19)6-7-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyZYOSBGWCLZLTFA-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.71
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 63527626) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID63527626
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-10-14(19)6-7-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyZYOSBGWCLZLTFA-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

2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (CID 63527626) is 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZYOSBGWCLZLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-4-5-12(2)13(8-11)9-17(20-3)15-10-14(19)6-7-16(15)18/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-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-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).