1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine

C15H14F2N2 — CID 114930849

IUPAC1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C15H14F2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-6H,7-9,18H2
InChIKeyCAUQAXVYGLESHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.11
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine

1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine (PubChem CID 114930849) 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-7-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
PubChem CID114930849
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C15H14F2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-6H,7-9,18H2
InChIKeyCAUQAXVYGLESHW-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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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
CID 114930494
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456196
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
CID 106994975
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine (CID 114930849) is 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine is Nc1cccc2c1N(Cc1c(F)cccc1F)CC2.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine?
The InChIKey is CAUQAXVYGLESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-6H,7-9,18H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine?
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-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-7-amine is sourced from PubChem (CID 114930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).