1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine

C11H15BrN2 — CID 82277266

IUPAC1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCC(N)C1CN(C)c2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-7(13)10-6-14(2)11-4-3-8(12)5-9(10)11/h3-5,7,10H,6,13H2,1-2H3
InChIKeyNXNOADLHALCJFM-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.33
Rot. Bonds1

About 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine

1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine (PubChem CID 82277266) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
PubChem CID82277266
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCC(N)C1CN(C)c2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-7(13)10-6-14(2)11-4-3-8(12)5-9(10)11/h3-5,7,10H,6,13H2,1-2H3
InChIKeyNXNOADLHALCJFM-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
CID 117202243
1-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277261
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 82623345
(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
CID 51601161
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117202263
2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)propanoic acid
CID 83861094
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
CID 142041886
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 83843274
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine (CID 82277266) is 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine is CC(N)C1CN(C)c2ccc(Br)cc21.
What is the InChIKey of 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
The InChIKey is NXNOADLHALCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-7(13)10-6-14(2)11-4-3-8(12)5-9(10)11/h3-5,7,10H,6,13H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine?
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 82277266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).