2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine

C13H17BrN2 — CID 118051707

IUPAC2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine
SMILESNCCN1CC2(CCC2)c2c(Br)cccc21
InChIInChI=1S/C13H17BrN2/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)8-7-15/h1,3-4H,2,5-9,15H2
InChIKeyZTAFHLNPLUQUMA-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.65
Rot. Bonds2

About 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine

2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine (PubChem CID 118051707) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine
PubChem CID118051707
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine
SMILESNCCN1CC2(CCC2)c2c(Br)cccc21
InChIInChI=1S/C13H17BrN2/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)8-7-15/h1,3-4H,2,5-9,15H2
InChIKeyZTAFHLNPLUQUMA-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)propan-2-amine
CID 166397619
2-[7-(2-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanamine
CID 84606197
[3-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751636
2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
CID 83752978
2-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylethanamine
CID 86712779
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 118050177
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
2-methyl-1-spiro[2H-indole-3,1'-cyclobutane]-1-ylpropan-2-amine
CID 120857821
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385968
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
CID 82625462

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine?
The IUPAC name of 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine (CID 118051707) is 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine is NCCN1CC2(CCC2)c2c(Br)cccc21.
What is the InChIKey of 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine?
The InChIKey is ZTAFHLNPLUQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c14-10-3-1-4-11-12(10)13(5-2-6-13)9-16(11)8-7-15/h1,3-4H,2,5-9,15H2.
What are the key properties of 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine?
2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine has a molecular weight of 281.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanamine is sourced from PubChem (CID 118051707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).