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2-Thiophenemethanamine, N,N-dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-

HCID 3078321
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Basic information

CAS
120656-45-3
Standard SMILES
CCC(CCCc1cc(OC)c(OC)c(OC)c1)(c1cccs1)N(C)C
InChIKey
IRVSXFXWSUCMQE-UHFFFAOYSA-N
Molecular formula
C21H31NO3S
Average molar mass
377.5 g/mol
Monoisotopic mass
377.20246485

Names & identifiers

Preferred name
2-Thiophenemethanamine, N,N-dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-
IUPAC
N,N-dimethyl-3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)hexan-3-amine

Names & synonyms

120656-45-32-Thiophenemethanamine, N,N-dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-RefChem:10648731-Ethyl-4-(3,4,5-trimethoxyphenyl)-1-(2-thienyl)-N,N-dimethylbutylamineN,N-Dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-2-thiophenemethanamineSCHEMBL9799232DTXSID70923510IRVSXFXWSUCMQE-UHFFFAOYSA-NN,N-Dimethyl-3-(thiophen-2-yl)-6-(3,4,5-trimethoxyphenyl)hexan-3-amine

Database identifiers

CAS
120656-45-3
PubChem CID
3078321
DTXSID
DTXSID70923510

Properties

Computed structural propertiesFilling in

XLogP
4.8
Topological polar surface area
59.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
26
Formal charge
0
Complexity
395

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Related reactions

2 records
New reaction record
HRID 144787 reaction equation
HRID 144787As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1708967 reaction equation
HRID 1708967As productuspto-grants-1990_08

Compound notes

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