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416889-35-5 molecular structure
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[2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine

ChemBase ID: 310833
Molecular Formular: C20H21NO
Molecular Mass: 291.38684
Monoisotopic Mass: 291.1623143
SMILES and InChIs

SMILES:
c12c(CNCCc3ccc(cc3)OC)cccc1cccc2
Canonical SMILES:
COc1ccc(cc1)CCNCc1cccc2c1cccc2
InChI:
InChI=1S/C20H21NO/c1-22-19-11-9-16(10-12-19)13-14-21-15-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,21H,13-15H2,1H3
InChIKey:
KVJGHZHIALFZSK-UHFFFAOYSA-N

Cite this record

CBID:310833 http://www.chembase.cn/molecule-310833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine
IUPAC Traditional name
[2-(4-methoxyphenyl)ethyl](naphthalen-1-ylmethyl)amine
Synonyms
2-(4-methoxyphenyl)-N-(1-naphthylmethyl)ethanamine
CAS Number
416889-35-5
MDL Number
MFCD01134933

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) 1.1513785  LogD (pH = 7.4) 1.7514945 
Log P 4.3765345  Molar Refractivity 91.587 cm3
Polarizability 37.07653 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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