N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine

C13H17BrFN — CID 114887135

IUPACN-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
SMILESCCNC(c1c(F)cccc1Br)C1CCC1
InChIInChI=1S/C13H17BrFN/c1-2-16-13(9-5-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyGBZVJEOOPCMRPB-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.04
Rot. Bonds4

About N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine

N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine (PubChem CID 114887135) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
PubChem CID114887135
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
SMILESCCNC(c1c(F)cccc1Br)C1CCC1
InChIInChI=1S/C13H17BrFN/c1-2-16-13(9-5-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3
InChIKeyGBZVJEOOPCMRPB-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 114887240
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine (CID 114887135) is N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine is CCNC(c1c(F)cccc1Br)C1CCC1.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine?
The InChIKey is GBZVJEOOPCMRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-16-13(9-5-3-6-9)12-10(14)7-4-8-11(12)15/h4,7-9,13,16H,2-3,5-6H2,1H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine?
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine has a molecular weight of 286.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine is sourced from PubChem (CID 114887135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).