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355382-49-9 molecular structure
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[(2-bromophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine

ChemBase ID: 310984
Molecular Formular: C16H18BrNO
Molecular Mass: 320.22422
Monoisotopic Mass: 319.0571762
SMILES and InChIs

SMILES:
c1(c(Br)cccc1)CNCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNCc1ccccc1Br
InChI:
InChI=1S/C16H18BrNO/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17/h2-9,18H,10-12H2,1H3
InChIKey:
FVXLXLDZFXFCQP-UHFFFAOYSA-N

Cite this record

CBID:310984 http://www.chembase.cn/molecule-310984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-bromophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
IUPAC Traditional name
[(2-bromophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
Synonyms
(2-bromobenzyl)[2-(4-methoxyphenyl)ethyl]amine
CAS Number
355382-49-9
MDL Number
MFCD01135624

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1479752  LogD (pH = 7.4) 2.662001 
Log P 4.1558104  Molar Refractivity 82.7596 cm3
Polarizability 32.079193 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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