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356093-95-3 molecular structure
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[(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine

ChemBase ID: 310974
Molecular Formular: C16H19NO
Molecular Mass: 241.32816
Monoisotopic Mass: 241.14666423
SMILES and InChIs

SMILES:
N(Cc1ccc(cc1)OC)Cc1cc(ccc1)C
Canonical SMILES:
COc1ccc(cc1)CNCc1cccc(c1)C
InChI:
InChI=1S/C16H19NO/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14/h3-10,17H,11-12H2,1-2H3
InChIKey:
KXRKPGJCQZNRGF-UHFFFAOYSA-N

Cite this record

CBID:310974 http://www.chembase.cn/molecule-310974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
IUPAC Traditional name
[(4-methoxyphenyl)methyl][(3-methylphenyl)methyl]amine
Synonyms
(4-methoxybenzyl)(3-methylbenzyl)amine
CAS Number
356093-95-3
MDL Number
MFCD01469146

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) 0.5409303  LogD (pH = 7.4) 1.9558085 
Log P 3.6118178  Molar Refractivity 75.423 cm3
Polarizability 29.465696 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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