1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine

C15H14BrFN2 — CID 79706988

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN2/c16-11-6-10(7-12(17)8-11)9-19-5-4-13-14(18)2-1-3-15(13)19/h1-3,6-8H,4-5,9,18H2
InChIKeyGFVIBHQRMWVTOX-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.73
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine

1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine (PubChem CID 79706988) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine
PubChem CID79706988
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrFN2/c16-11-6-10(7-12(17)8-11)9-19-5-4-13-14(18)2-1-3-15(13)19/h1-3,6-8H,4-5,9,18H2
InChIKeyGFVIBHQRMWVTOX-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine (CID 79706988) is 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine is Nc1cccc2c1CCN2Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The InChIKey is GFVIBHQRMWVTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2/c16-11-6-10(7-12(17)8-11)9-19-5-4-13-14(18)2-1-3-15(13)19/h1-3,6-8H,4-5,9,18H2.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine?
1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine has a molecular weight of 321.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroindol-4-amine is sourced from PubChem (CID 79706988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).