4-[[2-(3,4,5-Trimethoxyphenyl)ethyl](methyl)amino]hexan-3-ol

HCID 20031381
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Basic information

Standard SMILES
CCC(O)C(CC)N(C)CCc1cc(OC)c(OC)c(OC)c1
InChIKey
VAYRBSXFSWALIY-UHFFFAOYSA-N
Molecular formula
C18H31NO4
Average molar mass
325.4 g/mol
Monoisotopic mass
325.22530847

Names & identifiers

Preferred name
4-[[2-(3,4,5-Trimethoxyphenyl)ethyl](methyl)amino]hexan-3-ol
IUPAC
4-[methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amino]hexan-3-ol

Names & synonyms

SCHEMBL10511300VAYRBSXFSWALIY-UHFFFAOYSA-N4-[[2-(3,4,5-Trimethoxyphenyl)ethyl](methyl)amino]hexan-3-ol

Database identifiers

PubChem CID
20031381

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

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