2-bromo-1-(4-methoxyphenyl)indol-3-amine

C15H13BrN2O — CID 70910020

IUPAC2-bromo-1-(4-methoxyphenyl)indol-3-amine
SMILESCOc1ccc(-n2c(Br)c(N)c3ccccc32)cc1
InChIInChI=1S/C15H13BrN2O/c1-19-11-8-6-10(7-9-11)18-13-5-3-2-4-12(13)14(17)15(18)16/h2-9H,17H2,1H3
InChIKeyZIFVZMWCEMMKRI-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.98
Rot. Bonds2

About 2-bromo-1-(4-methoxyphenyl)indol-3-amine

2-bromo-1-(4-methoxyphenyl)indol-3-amine (PubChem CID 70910020) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxyphenyl)indol-3-amine.

Molecular Properties

Compound Name2-bromo-1-(4-methoxyphenyl)indol-3-amine
PubChem CID70910020
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-bromo-1-(4-methoxyphenyl)indol-3-amine
SMILESCOc1ccc(-n2c(Br)c(N)c3ccccc32)cc1
InChIInChI=1S/C15H13BrN2O/c1-19-11-8-6-10(7-9-11)18-13-5-3-2-4-12(13)14(17)15(18)16/h2-9H,17H2,1H3
InChIKeyZIFVZMWCEMMKRI-UHFFFAOYSA-N
XLogP3.98
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxyphenyl)indol-3-amine?
The IUPAC name of 2-bromo-1-(4-methoxyphenyl)indol-3-amine (CID 70910020) is 2-bromo-1-(4-methoxyphenyl)indol-3-amine.
What is the SMILES notation for 2-bromo-1-(4-methoxyphenyl)indol-3-amine?
The canonical SMILES for 2-bromo-1-(4-methoxyphenyl)indol-3-amine is COc1ccc(-n2c(Br)c(N)c3ccccc32)cc1.
What is the InChIKey of 2-bromo-1-(4-methoxyphenyl)indol-3-amine?
The InChIKey is ZIFVZMWCEMMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-11-8-6-10(7-9-11)18-13-5-3-2-4-12(13)14(17)15(18)16/h2-9H,17H2,1H3.
What are the key properties of 2-bromo-1-(4-methoxyphenyl)indol-3-amine?
2-bromo-1-(4-methoxyphenyl)indol-3-amine has a molecular weight of 317.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxyphenyl)indol-3-amine is sourced from PubChem (CID 70910020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).