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353773-94-1 molecular structure
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[(3-chlorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine

ChemBase ID: 311323
Molecular Formular: C16H18ClNO
Molecular Mass: 275.77322
Monoisotopic Mass: 275.10769188
SMILES and InChIs

SMILES:
c1c(Cl)cccc1CNCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNCc1cccc(c1)Cl
InChI:
InChI=1S/C16H18ClNO/c1-19-16-7-5-13(6-8-16)9-10-18-12-14-3-2-4-15(17)11-14/h2-8,11,18H,9-10,12H2,1H3
InChIKey:
SSABSWMOXYAYHD-UHFFFAOYSA-N

Cite this record

CBID:311323 http://www.chembase.cn/molecule-311323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-chlorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
IUPAC Traditional name
[(3-chlorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
Synonyms
(3-chlorobenzyl)[2-(4-methoxyphenyl)ethyl]amine
CAS Number
353773-94-1
MDL Number
MFCD02052614

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) 0.7952998  LogD (pH = 7.4) 1.7436136 
Log P 3.9911025  Molar Refractivity 79.9416 cm3
Polarizability 31.279366 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

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