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

C16H17N — CID 84735501

IUPAC5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2c1ccccc1C
InChIInChI=1S/C16H17N/c1-11-7-8-15-13(9-11)10-17-16(15)14-6-4-3-5-12(14)2/h3-9,16-17H,10H2,1-2H3
InChIKeyAFXGTLQASOUFES-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.50
Rot. Bonds1

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

5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84735501) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84735501
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2c1ccccc1C
InChIInChI=1S/C16H17N/c1-11-7-8-15-13(9-11)10-17-16(15)14-6-4-3-5-12(14)2/h3-9,16-17H,10H2,1-2H3
InChIKeyAFXGTLQASOUFES-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
CID 54477887
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687004
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-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735718
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735697
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101369322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole (CID 84735501) is 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)CNC2c1ccccc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is AFXGTLQASOUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-7-8-15-13(9-11)10-17-16(15)14-6-4-3-5-12(14)2/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole?
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 223.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84735501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).