2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine

C10H13BrFN — CID 171396178

IUPAC2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H13BrFN/c1-13(2)4-3-8-5-9(11)7-10(12)6-8/h5-7H,3-4H2,1-2H3
InChIKeyKWKCKQPIXAVEOL-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine

2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine (PubChem CID 171396178) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
PubChem CID171396178
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cc(F)cc(Br)c1
InChIInChI=1S/C10H13BrFN/c1-13(2)4-3-8-5-9(11)7-10(12)6-8/h5-7H,3-4H2,1-2H3
InChIKeyKWKCKQPIXAVEOL-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79706916
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 80666711
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine
CID 170866056
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine (CID 171396178) is 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine is CN(C)CCc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine?
The InChIKey is KWKCKQPIXAVEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-13(2)4-3-8-5-9(11)7-10(12)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine?
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine has a molecular weight of 246.12 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 171396178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).