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356092-37-0 molecular structure
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N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

ChemBase ID: 310915
Molecular Formular: C19H23NO2
Molecular Mass: 297.39142
Monoisotopic Mass: 297.17287898
SMILES and InChIs

SMILES:
c1(c(cc(cc1)OC)OC)CNC1c2c(CCC1)cccc2
Canonical SMILES:
COc1cc(OC)ccc1CNC1CCCc2c1cccc2
InChI:
InChI=1S/C19H23NO2/c1-21-16-11-10-15(19(12-16)22-2)13-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3
InChIKey:
STSLPNQNBVMGPK-UHFFFAOYSA-N

Cite this record

CBID:310915 http://www.chembase.cn/molecule-310915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC Traditional name
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
Synonyms
(2,4-dimethoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine
CAS Number
356092-37-0
MDL Number
MFCD01654046

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0103287  LogD (pH = 7.4) 2.6142156 
Log P 3.9295182  Molar Refractivity 89.0268 cm3
Polarizability 34.90168 Å3 Polar Surface Area 30.49 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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