3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine

C15H23BrN2 — CID 117200144

IUPAC3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C(C)C)c2cccc(Br)c21
InChIInChI=1S/C15H23BrN2/c1-11(2)18-10-12(6-5-9-17-3)15-13(16)7-4-8-14(15)18/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyLFWPQDBQYYXBEL-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.76
Rot. Bonds5

About 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine

3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (PubChem CID 117200144) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
PubChem CID117200144
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CN(C(C)C)c2cccc(Br)c21
InChIInChI=1S/C15H23BrN2/c1-11(2)18-10-12(6-5-9-17-3)15-13(16)7-4-8-14(15)18/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyLFWPQDBQYYXBEL-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine (CID 117200144) is 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine is CNCCCC1CN(C(C)C)c2cccc(Br)c21.
What is the InChIKey of 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
The InChIKey is LFWPQDBQYYXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(2)18-10-12(6-5-9-17-3)15-13(16)7-4-8-14(15)18/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3.
What are the key properties of 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine?
3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).