2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole

C16H15Cl2N — CID 954435

IUPAC2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C)CN(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N/c1-10-5-12-8-19(9-13(12)6-11(10)2)14-3-4-15(17)16(18)7-14/h3-7H,8-9H2,1-2H3
InChIKeyXJLHZDWOTSYQTO-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.13
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole

2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole (PubChem CID 954435) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole
PubChem CID954435
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C)CN(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C16H15Cl2N/c1-10-5-12-8-19(9-13(12)6-11(10)2)14-3-4-15(17)16(18)7-14/h3-7H,8-9H2,1-2H3
InChIKeyXJLHZDWOTSYQTO-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
3-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-2-methylbenzoic acid
CID 54515229
2-(3,4-dimethylphenyl)-N-methyl-1,3-dihydroisoindol-5-amine
CID 117006217
4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
CID 11514596
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
N-[1-(3,4-dichlorophenyl)piperidin-4-ylidene]hydroxylamine
CID 57419534
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine
CID 2241129
2-chloro-4-(1,3-dihydroisoindol-2-yl)benzenecarbothioamide
CID 62948137

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole (CID 954435) is 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole is Cc1cc2c(cc1C)CN(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole?
The InChIKey is XJLHZDWOTSYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-10-5-12-8-19(9-13(12)6-11(10)2)14-3-4-15(17)16(18)7-14/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole?
2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole has a molecular weight of 292.21 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole is sourced from PubChem (CID 954435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).