1-(1-methoxypropyl)-2,3-dihydroindole

C12H17NO — CID 89013403

IUPAC1-(1-methoxypropyl)-2,3-dihydroindole
SMILESCCC(OC)N1CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-3-12(14-2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12H,3,8-9H2,1-2H3
InChIKeyDOCBALPJLBFKDD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds3

About 1-(1-methoxypropyl)-2,3-dihydroindole

1-(1-methoxypropyl)-2,3-dihydroindole (PubChem CID 89013403) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(1-methoxypropyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-methoxypropyl)-2,3-dihydroindole
PubChem CID89013403
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(1-methoxypropyl)-2,3-dihydroindole
SMILESCCC(OC)N1CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-3-12(14-2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12H,3,8-9H2,1-2H3
InChIKeyDOCBALPJLBFKDD-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-yl)-3-methoxypropan-1-amine
CID 103225380
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2-ethoxy-1-methyl-3,4-dihydrocinnoline
CID 68627296
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718
2,3-dihydroindol-1-ylsilane
CID 149251229
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)-2,3-dihydroindole?
The IUPAC name of 1-(1-methoxypropyl)-2,3-dihydroindole (CID 89013403) is 1-(1-methoxypropyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-methoxypropyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-methoxypropyl)-2,3-dihydroindole is CCC(OC)N1CCc2ccccc21.
What is the InChIKey of 1-(1-methoxypropyl)-2,3-dihydroindole?
The InChIKey is DOCBALPJLBFKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(14-2)13-9-8-10-6-4-5-7-11(10)13/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-methoxypropyl)-2,3-dihydroindole?
1-(1-methoxypropyl)-2,3-dihydroindole has a molecular weight of 191.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)-2,3-dihydroindole is sourced from PubChem (CID 89013403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).