2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine

C15H14F2N2O — CID 43175728

IUPAC2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccccc1OC(F)F)C2
InChIInChI=1S/C15H14F2N2O/c16-15(17)20-14-7-2-1-6-13(14)19-8-10-4-3-5-12(18)11(10)9-19/h1-7,15H,8-9,18H2
InChIKeyHNRRPFBJSWAHBX-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.39
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine

2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine (PubChem CID 43175728) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine
PubChem CID43175728
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccccc1OC(F)F)C2
InChIInChI=1S/C15H14F2N2O/c16-15(17)20-14-7-2-1-6-13(14)19-8-10-4-3-5-12(18)11(10)9-19/h1-7,15H,8-9,18H2
InChIKeyHNRRPFBJSWAHBX-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine (CID 43175728) is 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1ccccc1OC(F)F)C2.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is HNRRPFBJSWAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-15(17)20-14-7-2-1-6-13(14)19-8-10-4-3-5-12(18)11(10)9-19/h1-7,15H,8-9,18H2.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine?
2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 276.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43175728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).