5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole

C10H12ClNO — CID 59274116

IUPAC5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
SMILESCOc1cc2c(cc1Cl)CN(C)C2
InChIInChI=1S/C10H12ClNO/c1-12-5-7-3-9(11)10(13-2)4-8(7)6-12/h3-4H,5-6H2,1-2H3
InChIKeyZLMISYGINITNAE-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.29
Rot. Bonds1

About 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole

5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole (PubChem CID 59274116) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
PubChem CID59274116
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
SMILESCOc1cc2c(cc1Cl)CN(C)C2
InChIInChI=1S/C10H12ClNO/c1-12-5-7-3-9(11)10(13-2)4-8(7)6-12/h3-4H,5-6H2,1-2H3
InChIKeyZLMISYGINITNAE-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole 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

2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
6-chloro-2-methyl-1,3-dihydroisoindol-5-amine
CID 90105129
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
(6-acetyloxy-2-methyl-1,3-dihydroisoindol-5-yl) acetate
CID 15223140
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
1,4-dichloro-2,5-dimethoxybenzene;3,5-dimethyl-1,3,5-thiadiazinane-2-thione
CID 88532792
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
6-chloro-7-methoxy-3,4-dihydro-2H-thiochromene
CID 171787914
6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 122057766
4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
CID 177238780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole (CID 59274116) is 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole is COc1cc2c(cc1Cl)CN(C)C2.
What is the InChIKey of 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole?
The InChIKey is ZLMISYGINITNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12-5-7-3-9(11)10(13-2)4-8(7)6-12/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole?
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole has a molecular weight of 197.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 59274116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).