2-(3-bromo-1H-indol-4-yl)propan-1-amine

C11H13BrN2 — CID 83900751

IUPAC2-(3-bromo-1H-indol-4-yl)propan-1-amine
SMILESCC(CN)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H13BrN2/c1-7(5-13)8-3-2-4-10-11(8)9(12)6-14-10/h2-4,6-7,14H,5,13H2,1H3
InChIKeySTFWXKJXRBEBPA-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-bromo-1H-indol-4-yl)propan-1-amine

2-(3-bromo-1H-indol-4-yl)propan-1-amine (PubChem CID 83900751) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(3-bromo-1H-indol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-1H-indol-4-yl)propan-1-amine
PubChem CID83900751
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(3-bromo-1H-indol-4-yl)propan-1-amine
SMILESCC(CN)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H13BrN2/c1-7(5-13)8-3-2-4-10-11(8)9(12)6-14-10/h2-4,6-7,14H,5,13H2,1H3
InChIKeySTFWXKJXRBEBPA-UHFFFAOYSA-N
XLogP2.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(7-bromo-1H-indol-3-yl)propan-1-amine
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methyl 3-amino-2-(4-bromo-1H-indol-3-yl)propanoate
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2-(3-bromo-1H-indol-4-yl)propan-2-amine
CID 117385066
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)propan-1-amine
CID 82653660
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
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2-(3-chloro-1H-indol-7-yl)propan-1-amine
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3-methyl-4-propan-2-yl-1H-indole
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CID 82599641

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-indol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-bromo-1H-indol-4-yl)propan-1-amine (CID 83900751) is 2-(3-bromo-1H-indol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-bromo-1H-indol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-bromo-1H-indol-4-yl)propan-1-amine is CC(CN)c1cccc2[nH]cc(Br)c12.
What is the InChIKey of 2-(3-bromo-1H-indol-4-yl)propan-1-amine?
The InChIKey is STFWXKJXRBEBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7(5-13)8-3-2-4-10-11(8)9(12)6-14-10/h2-4,6-7,14H,5,13H2,1H3.
What are the key properties of 2-(3-bromo-1H-indol-4-yl)propan-1-amine?
2-(3-bromo-1H-indol-4-yl)propan-1-amine has a molecular weight of 253.14 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-indol-4-yl)propan-1-amine is sourced from PubChem (CID 83900751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).