2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole

C18H19Cl2N — CID 137448596

IUPAC2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole
SMILESCc1ccc2c(c1)CN(CCCc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H19Cl2N/c1-13-4-6-15-11-21(12-16(15)9-13)8-2-3-14-5-7-17(19)18(20)10-14/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyQSNHEVCLQKEIKL-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.25
Rot. Bonds4

About 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole

2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole (PubChem CID 137448596) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole
PubChem CID137448596
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole
SMILESCc1ccc2c(c1)CN(CCCc1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C18H19Cl2N/c1-13-4-6-15-11-21(12-16(15)9-13)8-2-3-14-5-7-17(19)18(20)10-14/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyQSNHEVCLQKEIKL-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
CID 594236
1-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1,3-dihydroisoindol-5-yl]ethanone
CID 155273026
2-[3-(4-chlorophenyl)propyl]-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 110456814
5-methyl-2-prop-2-ynyl-1,3-dihydroisoindole
CID 123592025
1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
CID 164873635
1,2-dichlorobenzene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 143596446
5-[4-(3,4-dichlorophenyl)butyl]-1,3-dihydrofuro[3,4-c]pyrrole
CID 21421143
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole (CID 137448596) is 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole is Cc1ccc2c(c1)CN(CCCc1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole?
The InChIKey is QSNHEVCLQKEIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-13-4-6-15-11-21(12-16(15)9-13)8-2-3-14-5-7-17(19)18(20)10-14/h4-7,9-10H,2-3,8,11-12H2,1H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole?
2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole has a molecular weight of 320.26 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)propyl]-5-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 137448596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).