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1-Diethylamino-5-methyl-6-(m-methoxyphenyl)hex-2-yne

HCID 21485423
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)CC#CCC(C)Cc1cccc(OC)c1
InChIKey
VMVMBFDHLGFNDM-UHFFFAOYSA-N
Molecular formula
C18H27NO
Average molar mass
273.4 g/mol

Names & identifiers

Preferred name
1-Diethylamino-5-methyl-6-(m-methoxyphenyl)hex-2-yne
IUPAC
N,N-diethyl-6-(3-methoxyphenyl)-5-methylhex-2-yn-1-amine

Names & synonyms

SCHEMBL11865819VMVMBFDHLGFNDM-UHFFFAOYSA-N1-diethylamino-5-methyl-6-(m-methoxyphenyl)hex-2-yne1-diethylamino-5-methyl-6-(m-methoxyphenyl)-hex-2-yne

Database identifiers

PubChem CID
21485423

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
310

Related reactions

5 records
New reaction record
HRID 201933 reaction equation
HRID 201933As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1077127 reaction equation
HRID 1077127As productuspto-grants-1976_05
HRID 1077133 reaction equation
HRID 1077133As reactantuspto-grants-1976_05
HRID 1414943 reaction equation
HRID 1414943As productuspto-grants-1977_01
HRID 1414950 reaction equation
HRID 1414950As reactantuspto-grants-1977_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes