1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole

C15H21NO2 — CID 66473506

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CCC1OCCCO1
InChIInChI=1S/C15H21NO2/c1-12-11-13-5-2-3-6-14(13)16(12)8-7-15-17-9-4-10-18-15/h2-3,5-6,12,15H,4,7-11H2,1H3
InChIKeyVJFTVKSQKZECNR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole

1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole (PubChem CID 66473506) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
PubChem CID66473506
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1CCC1OCCCO1
InChIInChI=1S/C15H21NO2/c1-12-11-13-5-2-3-6-14(13)16(12)8-7-15-17-9-4-10-18-15/h2-3,5-6,12,15H,4,7-11H2,1H3
InChIKeyVJFTVKSQKZECNR-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dihydroisoindole
CID 66474126
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentan-1-amine
CID 79570177
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575568
1-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]piperidin-3-ol
CID 71689234
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole (CID 66473506) is 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1CCC1OCCCO1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole?
The InChIKey is VJFTVKSQKZECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-11-13-5-2-3-6-14(13)16(12)8-7-15-17-9-4-10-18-15/h2-3,5-6,12,15H,4,7-11H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole?
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole has a molecular weight of 247.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 66473506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).