1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole

C16H25NO2 — CID 63628082

IUPAC1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole
SMILESCCOC(CCN1c2ccccc2CC1C)OCC
InChIInChI=1S/C16H25NO2/c1-4-18-16(19-5-2)10-11-17-13(3)12-14-8-6-7-9-15(14)17/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyIKMYAMFUMBDTES-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole

1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole (PubChem CID 63628082) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole
PubChem CID63628082
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole
SMILESCCOC(CCN1c2ccccc2CC1C)OCC
InChIInChI=1S/C16H25NO2/c1-4-18-16(19-5-2)10-11-17-13(3)12-14-8-6-7-9-15(14)17/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyIKMYAMFUMBDTES-UHFFFAOYSA-N
XLogP3.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-2,3-dihydroindol-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 62623099
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
2-(methylamino)-4-(2-methyl-2,3-dihydroindol-1-yl)butan-1-ol
CID 64790575
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82010171
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pentan-1-amine
CID 65228439
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole (CID 63628082) is 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole is CCOC(CCN1c2ccccc2CC1C)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole?
The InChIKey is IKMYAMFUMBDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-16(19-5-2)10-11-17-13(3)12-14-8-6-7-9-15(14)17/h6-9,13,16H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole?
1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole has a molecular weight of 263.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 63628082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).