[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine

C16H16F2N2 — CID 107932681

IUPAC[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESCC1Cc2ccccc2N1c1ccc(CN)c(F)c1F
InChIInChI=1S/C16H16F2N2/c1-10-8-11-4-2-3-5-13(11)20(10)14-7-6-12(9-19)15(17)16(14)18/h2-7,10H,8-9,19H2,1H3
InChIKeyMPJZLECTZDQERE-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.51
Rot. Bonds2

About [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine

[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine (PubChem CID 107932681) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
PubChem CID107932681
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESCC1Cc2ccccc2N1c1ccc(CN)c(F)c1F
InChIInChI=1S/C16H16F2N2/c1-10-8-11-4-2-3-5-13(11)20(10)14-7-6-12(9-19)15(17)16(14)18/h2-7,10H,8-9,19H2,1H3
InChIKeyMPJZLECTZDQERE-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine (CID 107932681) is [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine is CC1Cc2ccccc2N1c1ccc(CN)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The InChIKey is MPJZLECTZDQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c1-10-8-11-4-2-3-5-13(11)20(10)14-7-6-12(9-19)15(17)16(14)18/h2-7,10H,8-9,19H2,1H3.
What are the key properties of [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine has a molecular weight of 274.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine is sourced from PubChem (CID 107932681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).