5-methoxy-1,3-dipropyl-2,3-dihydroindole

C15H23NO — CID 83960216

IUPAC5-methoxy-1,3-dipropyl-2,3-dihydroindole
SMILESCCCC1CN(CCC)c2ccc(OC)cc21
InChIInChI=1S/C15H23NO/c1-4-6-12-11-16(9-5-2)15-8-7-13(17-3)10-14(12)15/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyZFSXZPYKMMTAOV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.81
Rot. Bonds5

About 5-methoxy-1,3-dipropyl-2,3-dihydroindole

5-methoxy-1,3-dipropyl-2,3-dihydroindole (PubChem CID 83960216) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-methoxy-1,3-dipropyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-methoxy-1,3-dipropyl-2,3-dihydroindole
PubChem CID83960216
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-methoxy-1,3-dipropyl-2,3-dihydroindole
SMILESCCCC1CN(CCC)c2ccc(OC)cc21
InChIInChI=1S/C15H23NO/c1-4-6-12-11-16(9-5-2)15-8-7-13(17-3)10-14(12)15/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyZFSXZPYKMMTAOV-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244252
6-methoxy-1-propyl-2H-quinoline;hydroiodide
CID 70449070
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
3-[5-methoxy-1-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindol-3-yl]propanal
CID 89073087
5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311
1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
CID 11044863
3-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70891868
(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 11809044

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dipropyl-2,3-dihydroindole?
The IUPAC name of 5-methoxy-1,3-dipropyl-2,3-dihydroindole (CID 83960216) is 5-methoxy-1,3-dipropyl-2,3-dihydroindole.
What is the SMILES notation for 5-methoxy-1,3-dipropyl-2,3-dihydroindole?
The canonical SMILES for 5-methoxy-1,3-dipropyl-2,3-dihydroindole is CCCC1CN(CCC)c2ccc(OC)cc21.
What is the InChIKey of 5-methoxy-1,3-dipropyl-2,3-dihydroindole?
The InChIKey is ZFSXZPYKMMTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-12-11-16(9-5-2)15-8-7-13(17-3)10-14(12)15/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 5-methoxy-1,3-dipropyl-2,3-dihydroindole?
5-methoxy-1,3-dipropyl-2,3-dihydroindole has a molecular weight of 233.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dipropyl-2,3-dihydroindole is sourced from PubChem (CID 83960216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).