1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine

C14H14Br2N2 — CID 63464844

IUPAC1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ccc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2/c15-9-4-5-14(11(16)8-9)18-7-6-10-12(17)2-1-3-13(10)18/h4-8,12H,1-3,17H2
InChIKeyPBZLSINYXHSFLM-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.34
Rot. Bonds1

About 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine

1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63464844) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63464844
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1ccc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2/c15-9-4-5-14(11(16)8-9)18-7-6-10-12(17)2-1-3-13(10)18/h4-8,12H,1-3,17H2
InChIKeyPBZLSINYXHSFLM-UHFFFAOYSA-N
XLogP4.34
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63464844) is 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2-c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is PBZLSINYXHSFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c15-9-4-5-14(11(16)8-9)18-7-6-10-12(17)2-1-3-13(10)18/h4-8,12H,1-3,17H2.
What are the key properties of 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 370.09 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63464844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).