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

C13H19BrN2 — CID 117201212

IUPAC1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCCN1c2ccc(Br)cc2CC1CC(C)N
InChIInChI=1S/C13H19BrN2/c1-3-16-12(6-9(2)15)8-10-7-11(14)4-5-13(10)16/h4-5,7,9,12H,3,6,8,15H2,1-2H3
InChIKeyNPBKYINEHBUXPT-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds3

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

1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine (PubChem CID 117201212) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
PubChem CID117201212
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCCN1c2ccc(Br)cc2CC1CC(C)N
InChIInChI=1S/C13H19BrN2/c1-3-16-12(6-9(2)15)8-10-7-11(14)4-5-13(10)16/h4-5,7,9,12H,3,6,8,15H2,1-2H3
InChIKeyNPBKYINEHBUXPT-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
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-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine (CID 117201212) is 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine is CCN1c2ccc(Br)cc2CC1CC(C)N.
What is the InChIKey of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine?
The InChIKey is NPBKYINEHBUXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-3-16-12(6-9(2)15)8-10-7-11(14)4-5-13(10)16/h4-5,7,9,12H,3,6,8,15H2,1-2H3.
What are the key properties of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine?
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 2.94, 3 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-2-yl)propan-2-amine is sourced from PubChem (CID 117201212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).