1-benzyl-2-methyl-1,3-dihydroisoindole

C16H17N — CID 10585192

IUPAC1-benzyl-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C16H17N/c1-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyOUKLDUPODILSTC-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.42
Rot. Bonds2

About 1-benzyl-2-methyl-1,3-dihydroisoindole

1-benzyl-2-methyl-1,3-dihydroisoindole (PubChem CID 10585192) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-benzyl-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name1-benzyl-2-methyl-1,3-dihydroisoindole
PubChem CID10585192
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-benzyl-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccccc2C1Cc1ccccc1
InChIInChI=1S/C16H17N/c1-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyOUKLDUPODILSTC-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-methyl-1,3,4,5-tetrahydro-2-benzazepine;ethane;methoxymethane
CID 90792425
CID 15963515
CID 15963515
2,4-dibenzyl-3,4-dihydro-1H-isoquinoline
CID 135053737
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
2-methyl-1-[(3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 53474649
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
(2R)-2-benzyl-1-methylaziridine
CID 87174257
5-methoxy-2-methyl-6-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydroisoindole;hydrochloride
CID 45047887
2-benzyl-1-bromo-2,3-dihydro-1H-indene
CID 63470495
(1R)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]-1-(4-methylphenyl)ethanol;hydrochloride
CID 56658029
trimethyl-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]silane
CID 10932934
(1R)-1-(4-chlorophenyl)-2-[(1R)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
CID 56671899

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 1-benzyl-2-methyl-1,3-dihydroisoindole (CID 10585192) is 1-benzyl-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 1-benzyl-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 1-benzyl-2-methyl-1,3-dihydroisoindole is CN1Cc2ccccc2C1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-1,3-dihydroisoindole?
The InChIKey is OUKLDUPODILSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-17-12-14-9-5-6-10-15(14)16(17)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 1-benzyl-2-methyl-1,3-dihydroisoindole?
1-benzyl-2-methyl-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 10585192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).