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418778-09-3 molecular structure
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[2-(4-methoxyphenyl)ethyl][(2-methylphenyl)methyl]amine

ChemBase ID: 310933
Molecular Formular: C17H21NO
Molecular Mass: 255.35474
Monoisotopic Mass: 255.1623143
SMILES and InChIs

SMILES:
c1(c(C)cccc1)CNCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNCc1ccccc1C
InChI:
InChI=1S/C17H21NO/c1-14-5-3-4-6-16(14)13-18-12-11-15-7-9-17(19-2)10-8-15/h3-10,18H,11-13H2,1-2H3
InChIKey:
DHAYZPOLWOBTSV-UHFFFAOYSA-N

Cite this record

CBID:310933 http://www.chembase.cn/molecule-310933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)ethyl][(2-methylphenyl)methyl]amine
IUPAC Traditional name
[2-(4-methoxyphenyl)ethyl][(2-methylphenyl)methyl]amine
Synonyms
2-(4-methoxyphenyl)-N-(2-methylbenzyl)ethanamine
CAS Number
418778-09-3
MDL Number
MFCD01135752

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) 0.6859516  LogD (pH = 7.4) 1.4491688 
Log P 3.900479  Molar Refractivity 80.178 cm3
Polarizability 31.234531 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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