2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole

C13H19N — CID 168888761

IUPAC2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C(C)C)CN(C)C2
InChIInChI=1S/C13H19N/c1-9(2)13-6-12-8-14(4)7-11(12)5-10(13)3/h5-6,9H,7-8H2,1-4H3
InChIKeyZTXAECMZESFIIQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds1

About 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole

2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole (PubChem CID 168888761) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole
PubChem CID168888761
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C(C)C)CN(C)C2
InChIInChI=1S/C13H19N/c1-9(2)13-6-12-8-14(4)7-11(12)5-10(13)3/h5-6,9H,7-8H2,1-4H3
InChIKeyZTXAECMZESFIIQ-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-1,3-dihydroisoindol-5-amine
CID 168889274
2,6-dimethyl-5-propan-2-yl-3H-isoindol-1-one
CID 163943326
2-(6-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
CID 170372522
2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole
CID 177282893
1-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 144517655
(1R)-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 131182240
1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042
6-fluoro-7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 171522938
5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol
CID 130035071
2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine
CID 115876895
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole?
The IUPAC name of 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole (CID 168888761) is 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole.
What is the SMILES notation for 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole?
The canonical SMILES for 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole is Cc1cc2c(cc1C(C)C)CN(C)C2.
What is the InChIKey of 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole?
The InChIKey is ZTXAECMZESFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)13-6-12-8-14(4)7-11(12)5-10(13)3/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole?
2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole has a molecular weight of 189.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole is sourced from PubChem (CID 168888761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).