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

C16H16BrN — CID 20628319

IUPAC1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESCc1ccc(Br)cc1CC1NCc2ccccc21
InChIInChI=1S/C16H16BrN/c1-11-6-7-14(17)8-13(11)9-16-15-5-3-2-4-12(15)10-18-16/h2-8,16,18H,9-10H2,1H3
InChIKeyRYWHLGDTCFSYOQ-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.14
Rot. Bonds2

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

1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 20628319) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID20628319
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESCc1ccc(Br)cc1CC1NCc2ccccc21
InChIInChI=1S/C16H16BrN/c1-11-6-7-14(17)8-13(11)9-16-15-5-3-2-4-12(15)10-18-16/h2-8,16,18H,9-10H2,1H3
InChIKeyRYWHLGDTCFSYOQ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-isoindole
CID 65047103
1-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
CID 65046462
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole
CID 65042106
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046308
(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
CID 16681083
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
1-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65325379

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole (CID 20628319) is 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole is Cc1ccc(Br)cc1CC1NCc2ccccc21.
What is the InChIKey of 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is RYWHLGDTCFSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-11-6-7-14(17)8-13(11)9-16-15-5-3-2-4-12(15)10-18-16/h2-8,16,18H,9-10H2,1H3.
What are the key properties of 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole?
1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 302.22 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methylphenyl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 20628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).