2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine

C11H15BrFN — CID 115259643

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-3-14(2)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAEHKSXCLURMJAJ-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.08
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine (PubChem CID 115259643) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
PubChem CID115259643
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-3-14(2)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyAEHKSXCLURMJAJ-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]acetaldehyde
CID 115223440
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255197
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133025
4-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149914
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042482

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine (CID 115259643) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine is CCN(C)CCc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine?
The InChIKey is AEHKSXCLURMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-14(2)7-6-9-8-10(12)4-5-11(9)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine has a molecular weight of 260.15 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 115259643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).