1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine

C11H15BrN2 — CID 18735337

IUPAC1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESCC(N)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyQGRQJMXAQYGAKK-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.16
Rot. Bonds2

About 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine

1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 18735337) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID18735337
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESCC(N)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyQGRQJMXAQYGAKK-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine (CID 18735337) is 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine is CC(N)CN1CCc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is QGRQJMXAQYGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine 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 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 18735337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).