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

C16H15FN2O — CID 63291515

IUPAC6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1ccccc1OC
InChIInChI=1S/C16H15FN2O/c1-20-15-5-3-2-4-12(15)10-19-9-11-6-7-13(17)8-14(11)16(19)18/h2-8,18H,9-10H2,1H3/b18-16-
InChIKeyDMALSXZPPZEAGO-VLGSPTGOSA-N
MW270.31 g/mol
LogP3.18
Rot. Bonds3

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

6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine (PubChem CID 63291515) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
PubChem CID63291515
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1ccccc1OC
InChIInChI=1S/C16H15FN2O/c1-20-15-5-3-2-4-12(15)10-19-9-11-6-7-13(17)8-14(11)16(19)18/h2-8,18H,9-10H2,1H3/b18-16-
InChIKeyDMALSXZPPZEAGO-VLGSPTGOSA-N
XLogP3.18
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
CID 63536482
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
5,6-dichloro-2-[[2-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-imine;hydrobromide
CID 22616311
2-(4-chloro-3-methoxyphenyl)-6-fluoro-3H-isoindol-1-imine
CID 107622111
2-(4-chloro-2-methoxy-5-methylphenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534774
N-[3-(5-fluoro-3-imino-1H-isoindol-2-yl)propyl]methanesulfonamide
CID 106337066
6-fluoro-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3H-isoindol-1-imine
CID 55203061
6-fluoro-2-(4-methoxy-2-methylphenyl)-3H-isoindol-1-imine
CID 63291223
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
CID 63291737
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
6-fluoro-2-(2-phenylcyclopropyl)-3H-isoindol-1-imine
CID 63291614
6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
CID 63291650

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine (CID 63291515) is 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1Cc1ccccc1OC.
What is the InChIKey of 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine?
The InChIKey is DMALSXZPPZEAGO-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-15-5-3-2-4-12(15)10-19-9-11-6-7-13(17)8-14(11)16(19)18/h2-8,18H,9-10H2,1H3/b18-16-.
What are the key properties of 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine?
6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine has a molecular weight of 270.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine is sourced from PubChem (CID 63291515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).