2-(3-bromoindol-1-yl)aniline

C14H11BrN2 — CID 51032404

IUPAC2-(3-bromoindol-1-yl)aniline
SMILESNc1ccccc1-n1cc(Br)c2ccccc21
InChIInChI=1S/C14H11BrN2/c15-11-9-17(13-7-3-1-5-10(11)13)14-8-4-2-6-12(14)16/h1-9H,16H2
InChIKeyCLMHUFNDSYJPQC-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.98
Rot. Bonds1

About 2-(3-bromoindol-1-yl)aniline

2-(3-bromoindol-1-yl)aniline (PubChem CID 51032404) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(3-bromoindol-1-yl)aniline.

Molecular Properties

Compound Name2-(3-bromoindol-1-yl)aniline
PubChem CID51032404
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(3-bromoindol-1-yl)aniline
SMILESNc1ccccc1-n1cc(Br)c2ccccc21
InChIInChI=1S/C14H11BrN2/c15-11-9-17(13-7-3-1-5-10(11)13)14-8-4-2-6-12(14)16/h1-9H,16H2
InChIKeyCLMHUFNDSYJPQC-UHFFFAOYSA-N
XLogP3.98
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)quinolin-4-one
CID 15712134
2-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62803398
3-bromo-1-methylindole
CID 13357736
3-bromo-1-sulfanylindole
CID 130183431
3-[(3-bromoindol-1-yl)methyl]-2-methylaniline
CID 62805729
2-[4-(2-bromophenyl)piperazin-1-yl]aniline
CID 117013639
ethane;9-methylcarbazol-1-amine
CID 142426342
4-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62805730
2-bromoaniline
CID 162048621
2-(6-methylindol-1-yl)aniline
CID 51032406
benzene-1,2-diamine;zinc
CID 70562194
ethyl 3-bromoindole-1-carboxylate
CID 67446481

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoindol-1-yl)aniline?
The IUPAC name of 2-(3-bromoindol-1-yl)aniline (CID 51032404) is 2-(3-bromoindol-1-yl)aniline.
What is the SMILES notation for 2-(3-bromoindol-1-yl)aniline?
The canonical SMILES for 2-(3-bromoindol-1-yl)aniline is Nc1ccccc1-n1cc(Br)c2ccccc21.
What is the InChIKey of 2-(3-bromoindol-1-yl)aniline?
The InChIKey is CLMHUFNDSYJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-11-9-17(13-7-3-1-5-10(11)13)14-8-4-2-6-12(14)16/h1-9H,16H2.
What are the key properties of 2-(3-bromoindol-1-yl)aniline?
2-(3-bromoindol-1-yl)aniline has a molecular weight of 287.16 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoindol-1-yl)aniline is sourced from PubChem (CID 51032404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).