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356092-08-5 molecular structure
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N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

ChemBase ID: 310949
Molecular Formular: C18H21NO
Molecular Mass: 267.36544
Monoisotopic Mass: 267.1623143
SMILES and InChIs

SMILES:
c12C(NCc3cc(OC)ccc3)CCCc1cccc2
Canonical SMILES:
COc1cccc(c1)CNC1CCCc2c1cccc2
InChI:
InChI=1S/C18H21NO/c1-20-16-9-4-6-14(12-16)13-19-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3
InChIKey:
SXHRESMDGYRFLU-UHFFFAOYSA-N

Cite this record

CBID:310949 http://www.chembase.cn/molecule-310949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC Traditional name
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
Synonyms
(3-methoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine
CAS Number
356092-08-5
MDL Number
MFCD01654072

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9747186  LogD (pH = 7.4) 2.2951646 
Log P 4.087189  Molar Refractivity 82.5636 cm3
Polarizability 32.41595 Å3 Polar Surface Area 21.26 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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