2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine

C13H17BrFN — CID 64987034

IUPAC2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C13H17BrFN/c1-16-13(10-3-2-4-10)8-9-5-6-12(15)11(14)7-9/h5-7,10,13,16H,2-4,8H2,1H3
InChIKeyXVRQJTSWTVTZGP-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.52
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine

2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine (PubChem CID 64987034) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
PubChem CID64987034
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1CCC1
InChIInChI=1S/C13H17BrFN/c1-16-13(10-3-2-4-10)8-9-5-6-12(15)11(14)7-9/h5-7,10,13,16H,2-4,8H2,1H3
InChIKeyXVRQJTSWTVTZGP-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 115926829
[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229545
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine (CID 64987034) is 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine is CNC(Cc1ccc(F)c(Br)c1)C1CCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
The InChIKey is XVRQJTSWTVTZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-16-13(10-3-2-4-10)8-9-5-6-12(15)11(14)7-9/h5-7,10,13,16H,2-4,8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine has a molecular weight of 286.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 64987034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).