2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole

C16H17N — CID 163561208

IUPAC2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(C2c3ccccc3CN2C)cc1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3
InChIKeyFRJBGJSXBYWNFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.53
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole

2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole (PubChem CID 163561208) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
PubChem CID163561208
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(C2c3ccccc3CN2C)cc1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3
InChIKeyFRJBGJSXBYWNFN-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline
CID 132540170
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
CID 59396688
(1R)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]-1-(4-methylphenyl)ethanol;hydrochloride
CID 56658029
4-(4-methylphenyl)-3,4,6,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-one
CID 11832713
trimethyl-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]silane
CID 10932934
3-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal
CID 54113380
[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095510
2-amino-4-(2-methyl-1,3-dihydroisoindol-1-yl)-1,3-thiazol-5-ol
CID 143155155
(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767297
3-methyl-1-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one
CID 92757749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole (CID 163561208) is 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole is Cc1ccc(C2c3ccccc3CN2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is FRJBGJSXBYWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 163561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).