2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

C15H21BrFN — CID 115843879

IUPAC2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1(C)CCCC1
InChIInChI=1S/C15H21BrFN/c1-15(7-3-4-8-15)14(18-2)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3
InChIKeyGGHIQISFXYIICJ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (PubChem CID 115843879) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
PubChem CID115843879
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1(C)CCCC1
InChIInChI=1S/C15H21BrFN/c1-15(7-3-4-8-15)14(18-2)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3
InChIKeyGGHIQISFXYIICJ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63078622
2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106827610
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
2-(2-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684366
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 105377271
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (CID 115843879) is 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is CNC(Cc1cc(F)ccc1Br)C1(C)CCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is GGHIQISFXYIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(7-3-4-8-15)14(18-2)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 115843879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).