1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole

C15H14FN — CID 84735923

IUPAC1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)NC2
InChIInChI=1S/C15H14FN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-8,15,17H,9H2,1H3
InChIKeyLNBHWDAWAXONGL-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.33
Rot. Bonds1

About 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole

1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole (PubChem CID 84735923) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
PubChem CID84735923
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)NC2
InChIInChI=1S/C15H14FN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-8,15,17H,9H2,1H3
InChIKeyLNBHWDAWAXONGL-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
2-(6-methyl-2,3-dihydro-1H-isoindol-1-yl)-2-oxoacetaldehyde
CID 174734512
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
CID 129390819
1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
CID 84736095
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84717063
7-methoxy-1-(4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84736877
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
chromium;1-fluoro-4-methylbenzene
CID 139244082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole (CID 84735923) is 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)C(c1ccc(F)cc1)NC2.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is LNBHWDAWAXONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-10-2-3-12-9-17-15(14(12)8-10)11-4-6-13(16)7-5-11/h2-8,15,17H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole?
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 227.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84735923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).