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

C14H21BrN2 — CID 117202264

IUPAC1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
SMILESCCN1CC(CC(C)NC)c2cc(Br)ccc21
InChIInChI=1S/C14H21BrN2/c1-4-17-9-11(7-10(2)16-3)13-8-12(15)5-6-14(13)17/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyLFJGKJDKZJBNDI-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.37
Rot. Bonds4

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

1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine (PubChem CID 117202264) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
PubChem CID117202264
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
SMILESCCN1CC(CC(C)NC)c2cc(Br)ccc21
InChIInChI=1S/C14H21BrN2/c1-4-17-9-11(7-10(2)16-3)13-8-12(15)5-6-14(13)17/h5-6,8,10-11,16H,4,7,9H2,1-3H3
InChIKeyLFJGKJDKZJBNDI-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine (CID 117202264) is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine is CCN1CC(CC(C)NC)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is LFJGKJDKZJBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-4-17-9-11(7-10(2)16-3)13-8-12(15)5-6-14(13)17/h5-6,8,10-11,16H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine?
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 297.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117202264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).