1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine

C15H13BrF2N2 — CID 106264340

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2
InChIInChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)11(15(12)18)8-20-6-5-9-1-2-10(19)7-14(9)20/h1-4,7H,5-6,8,19H2
InChIKeyDHCHSQGDMYMYBO-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.87
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 106264340) has the molecular formula C15H13BrF2N2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
PubChem CID106264340
Molecular FormulaC15H13BrF2N2
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2
InChIInChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)11(15(12)18)8-20-6-5-9-1-2-10(19)7-14(9)20/h1-4,7H,5-6,8,19H2
InChIKeyDHCHSQGDMYMYBO-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine (CID 106264340) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(Cc1c(F)ccc(Br)c1F)CC2.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is DHCHSQGDMYMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)11(15(12)18)8-20-6-5-9-1-2-10(19)7-14(9)20/h1-4,7H,5-6,8,19H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 339.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 106264340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).