2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine

C13H17BrN2 — CID 84642809

IUPAC2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3
InChIKeyUUEYYGWBOIUBTR-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.40
Rot. Bonds2

About 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine

2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine (PubChem CID 84642809) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine
PubChem CID84642809
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3
InChIKeyUUEYYGWBOIUBTR-UHFFFAOYSA-N
XLogP3.40
TPSA16.96 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 102127981
2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine
CID 84628690
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140
1-(5-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675916
1-(5-bromo-1-methylindol-3-yl)propan-1-amine
CID 82278922
6-bromo-1-methylquinolin-4-one
CID 1377385
5-bromo-1-methyl-3-[(4-propan-2-ylphenyl)methyl]indole
CID 26367659
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine (CID 84642809) is 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine is CNC(C)(C)c1cn(C)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is UUEYYGWBOIUBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-13(2,15-3)11-8-16(4)12-6-5-9(14)7-10(11)12/h5-8,15H,1-4H3.
What are the key properties of 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine?
2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 281.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 84642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).