6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine

C17H17FN2O — CID 106261753

IUPAC6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCc1ccccc1OC
InChIInChI=1S/C17H17FN2O/c1-21-16-5-3-2-4-12(16)8-9-20-11-13-6-7-14(18)10-15(13)17(20)19/h2-7,10,19H,8-9,11H2,1H3/b19-17-
InChIKeyHOCXBAFTHPDYOP-ZPHPHTNESA-N
MW284.33 g/mol
LogP3.22
Rot. Bonds4

About 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine

6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine (PubChem CID 106261753) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine
PubChem CID106261753
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CCc1ccccc1OC
InChIInChI=1S/C17H17FN2O/c1-21-16-5-3-2-4-12(16)8-9-20-11-13-6-7-14(18)10-15(13)17(20)19/h2-7,10,19H,8-9,11H2,1H3/b19-17-
InChIKeyHOCXBAFTHPDYOP-ZPHPHTNESA-N
XLogP3.22
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine (CID 106261753) is 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1CCc1ccccc1OC.
What is the InChIKey of 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine?
The InChIKey is HOCXBAFTHPDYOP-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17FN2O/c1-21-16-5-3-2-4-12(16)8-9-20-11-13-6-7-14(18)10-15(13)17(20)19/h2-7,10,19H,8-9,11H2,1H3/b19-17-.
What are the key properties of 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine?
6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine has a molecular weight of 284.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(2-methoxyphenyl)ethyl]-3H-isoindol-1-imine is sourced from PubChem (CID 106261753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).