2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine

C13H19BrN2 — CID 117202262

IUPAC2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCCN1CC(CCNC)c2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2/c1-3-16-9-10(6-7-15-2)12-8-11(14)4-5-13(12)16/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyFCMGDIAAGLDJNT-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.98
Rot. Bonds4

About 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine

2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 117202262) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
PubChem CID117202262
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCCN1CC(CCNC)c2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2/c1-3-16-9-10(6-7-15-2)12-8-11(14)4-5-13(12)16/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyFCMGDIAAGLDJNT-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine (CID 117202262) is 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine is CCN1CC(CCNC)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is FCMGDIAAGLDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-3-16-9-10(6-7-15-2)12-8-11(14)4-5-13(12)16/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine?
2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).