2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine

C11H15BrN2 — CID 118050177

IUPAC2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2c(Br)cccc2N1CCN
InChIInChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3
InChIKeyOCXXXTWCZZXMCL-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.16
Rot. Bonds2

About 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine

2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 118050177) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
PubChem CID118050177
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2c(Br)cccc2N1CCN
InChIInChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3
InChIKeyOCXXXTWCZZXMCL-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
CID 117198761
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198803
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044
4-[2-(5-bromo-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110457422
2-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)ethanol
CID 117202836
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
1-(1-ethyl-2-methyl-2,3-dihydroindol-4-yl)propan-2-one
CID 117202850

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine (CID 118050177) is 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine is CC1Cc2c(Br)cccc2N1CCN.
What is the InChIKey of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is OCXXXTWCZZXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3.
What are the key properties of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 118050177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).