1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole

C15H14ClN — CID 84737209

IUPAC1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2c1ccccc1Cl
InChIInChI=1S/C15H14ClN/c1-10-6-7-12-11(8-10)9-17-15(12)13-4-2-3-5-14(13)16/h2-8,15,17H,9H2,1H3
InChIKeyGRAKDVICNUXJIF-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.84
Rot. Bonds1

About 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole

1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole (PubChem CID 84737209) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
PubChem CID84737209
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2c1ccccc1Cl
InChIInChI=1S/C15H14ClN/c1-10-6-7-12-11(8-10)9-17-15(12)13-4-2-3-5-14(13)16/h2-8,15,17H,9H2,1H3
InChIKeyGRAKDVICNUXJIF-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorophenyl)-5-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

5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737224
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687004
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
CID 54477887
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737389

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole (CID 84737209) is 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)CNC2c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is GRAKDVICNUXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-10-6-7-12-11(8-10)9-17-15(12)13-4-2-3-5-14(13)16/h2-8,15,17H,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole?
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 243.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).