1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine

C15H14F2N2 — CID 114930494

IUPAC1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2Cc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-6H,7-9,18H2
InChIKeyYWFOHRJTYCVDGG-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.11
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine

1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine (PubChem CID 114930494) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
PubChem CID114930494
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2Cc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-6H,7-9,18H2
InChIKeyYWFOHRJTYCVDGG-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.11
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-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine (CID 114930494) is 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine is Nc1cccc2c1CCN2Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine?
The InChIKey is YWFOHRJTYCVDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-6H,7-9,18H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine?
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine has a molecular weight of 260.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine is sourced from PubChem (CID 114930494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).