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

C18H21NO2 — CID 70790411

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
SMILESCOc1ccc(CN2Cc3ccc(C)cc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-13-4-5-14-10-19(12-16(14)8-13)11-15-6-7-17(20-2)9-18(15)21-3/h4-9H,10-12H2,1-3H3
InChIKeyAWKYKFSHVDCCCN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds4

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

2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole (PubChem CID 70790411) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
PubChem CID70790411
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
SMILESCOc1ccc(CN2Cc3ccc(C)cc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-13-4-5-14-10-19(12-16(14)8-13)11-15-6-7-17(20-2)9-18(15)21-3/h4-9H,10-12H2,1-3H3
InChIKeyAWKYKFSHVDCCCN-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-deuterio-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 152535816
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
3-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyrazine
CID 178141497
4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole (CID 70790411) is 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole is COc1ccc(CN2Cc3ccc(C)cc3C2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole?
The InChIKey is AWKYKFSHVDCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-4-5-14-10-19(12-16(14)8-13)11-15-6-7-17(20-2)9-18(15)21-3/h4-9H,10-12H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole?
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole has a molecular weight of 283.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 70790411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).