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[5-(3-diethylamino-propyl)-1H-indol-2-yl]-methanol

HCID 22042151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)CCCc1ccc2[nH]c(CO)cc2c1
InChIKey
IMCZJSISEOMDFG-UHFFFAOYSA-N
Molecular formula
C16H24N2O
Average molar mass
260.37 g/mol

Names & identifiers

Preferred name
[5-(3-diethylamino-propyl)-1H-indol-2-yl]-methanol
IUPAC
[5-[3-(diethylamino)propyl]-1H-indol-2-yl]methanol

Names & synonyms

SCHEMBL5843070IMCZJSISEOMDFG-UHFFFAOYSA-N[5-(3-diethylamino-propyl)-1H-indol-2-yl]-methanol

Database identifiers

PubChem CID
22042151

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
39.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
255

Related reactions

5 records
New reaction record
HRID 49053 reaction equation
HRID 49053As productuspto-grants-2004_03
HRID 49054 reaction equation
HRID 49054As reactantuspto-grants-2004_03
HRID 141881 reaction equation
HRID 141881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1790903 reaction equation
HRID 1790903As productuspto-grants-2006_07
HRID 1790904 reaction equation
HRID 1790904As reactantuspto-grants-2006_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes