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95999-12-5 molecular structure
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5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

ChemBase ID: 130073
Molecular Formular: C18H29NO
Molecular Mass: 275.42896
Monoisotopic Mass: 275.22491455
SMILES and InChIs

SMILES:
CC1C(N(CCC)CCC)CCc2c1cccc2OC
Canonical SMILES:
CCCN(C1CCc2c(C1C)cccc2OC)CCC
InChI:
InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3
InChIKey:
BTOJYCTUJJHANF-UHFFFAOYSA-N

Cite this record

CBID:130073 http://www.chembase.cn/molecule-130073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC Traditional name
5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms
UH-232
CAS Number
95999-12-5
PubChem SID
162224358
PubChem CID
123696
4638165
Wikipedia Title
UH-232

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2168163  LogD (pH = 7.4) 1.4833945 
Log P 4.7134905  Molar Refractivity 86.4165 cm3
Polarizability 33.78586 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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