trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine

C15H19BrN2 — CID 166910886

IUPACtrans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine
SMILESCC(C)Cn1cc([C@@H]2C[C@H]2N)c2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-9(2)7-18-8-13(12-6-14(12)17)11-4-3-10(16)5-15(11)18/h3-5,8-9,12,14H,6-7,17H2,1-2H3/t12-,14+/m0/s1
InChIKeyBZNPDUDGOTXYJG-GXTWGEPZSA-N
MW307.24 g/mol
LogP3.87
Rot. Bonds3

About trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine

trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine (PubChem CID 166910886) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine
PubChem CID166910886
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Nametrans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine
SMILESCC(C)Cn1cc([C@@H]2C[C@H]2N)c2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-9(2)7-18-8-13(12-6-14(12)17)11-4-3-10(16)5-15(11)18/h3-5,8-9,12,14H,6-7,17H2,1-2H3/t12-,14+/m0/s1
InChIKeyBZNPDUDGOTXYJG-GXTWGEPZSA-N
XLogP3.87
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-ethenyl-1-(2-methylpropyl)indole
CID 169304513
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
CID 166911742
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 166911872
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-propan-2-ylsulfanylethanone
CID 169304742
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-methylpropanenitrile
CID 169304659
(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
CID 51601161
2-[5-bromo-1-(2-methylpropyl)indol-3-yl]acetonitrile
CID 175317145
(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911238
[4-[1-(2-methylpropyl)-6-phenylindol-3-yl]phenyl]methanamine
CID 166911633
3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
CID 166911852
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine (CID 166910886) is trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine is CC(C)Cn1cc([C@@H]2C[C@H]2N)c2ccc(Br)cc21.
What is the InChIKey of trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine?
The InChIKey is BZNPDUDGOTXYJG-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-9(2)7-18-8-13(12-6-14(12)17)11-4-3-10(16)5-15(11)18/h3-5,8-9,12,14H,6-7,17H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine?
trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine has a molecular weight of 307.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 166910886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).