1-(5-bromoindol-1-yl)propan-2-amine

C11H13BrN2 — CID 10753358

IUPAC1-(5-bromoindol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
InChIKeyUOWVUNAMIYCETC-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.75
Rot. Bonds2

About 1-(5-bromoindol-1-yl)propan-2-amine

1-(5-bromoindol-1-yl)propan-2-amine (PubChem CID 10753358) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(5-bromoindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromoindol-1-yl)propan-2-amine
PubChem CID10753358
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(5-bromoindol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
InChIKeyUOWVUNAMIYCETC-UHFFFAOYSA-N
XLogP2.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoindol-1-yl)propan-2-amine?
The IUPAC name of 1-(5-bromoindol-1-yl)propan-2-amine (CID 10753358) is 1-(5-bromoindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromoindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromoindol-1-yl)propan-2-amine is CC(N)Cn1ccc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromoindol-1-yl)propan-2-amine?
The InChIKey is UOWVUNAMIYCETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3.
What are the key properties of 1-(5-bromoindol-1-yl)propan-2-amine?
1-(5-bromoindol-1-yl)propan-2-amine has a molecular weight of 253.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoindol-1-yl)propan-2-amine is sourced from PubChem (CID 10753358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).