N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine

C15H14F2N2 — CID 82536099

IUPACN-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCN1Cc2ccc(Nc3ccc(F)cc3F)cc2C1
InChIInChI=1S/C15H14F2N2/c1-19-8-10-2-4-13(6-11(10)9-19)18-15-5-3-12(16)7-14(15)17/h2-7,18H,8-9H2,1H3
InChIKeyVKJUYMITXJBSJJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.65
Rot. Bonds2

About N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine

N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine (PubChem CID 82536099) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine
PubChem CID82536099
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC NameN-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine
SMILESCN1Cc2ccc(Nc3ccc(F)cc3F)cc2C1
InChIInChI=1S/C15H14F2N2/c1-19-8-10-2-4-13(6-11(10)9-19)18-15-5-3-12(16)7-14(15)17/h2-7,18H,8-9H2,1H3
InChIKeyVKJUYMITXJBSJJ-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine?
The IUPAC name of N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine (CID 82536099) is N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine is CN1Cc2ccc(Nc3ccc(F)cc3F)cc2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine?
The InChIKey is VKJUYMITXJBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c1-19-8-10-2-4-13(6-11(10)9-19)18-15-5-3-12(16)7-14(15)17/h2-7,18H,8-9H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine?
N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine has a molecular weight of 260.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 82536099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).