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355382-90-0 molecular structure
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[2-(4-methoxyphenyl)ethyl](pyridin-2-ylmethyl)amine

ChemBase ID: 310996
Molecular Formular: C15H18N2O
Molecular Mass: 242.31622
Monoisotopic Mass: 242.14191321
SMILES and InChIs

SMILES:
n1c(CNCCc2ccc(cc2)OC)cccc1
Canonical SMILES:
COc1ccc(cc1)CCNCc1ccccn1
InChI:
InChI=1S/C15H18N2O/c1-18-15-7-5-13(6-8-15)9-11-16-12-14-4-2-3-10-17-14/h2-8,10,16H,9,11-12H2,1H3
InChIKey:
KCYNLJVISFFUJX-UHFFFAOYSA-N

Cite this record

CBID:310996 http://www.chembase.cn/molecule-310996.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)ethyl](pyridin-2-ylmethyl)amine
IUPAC Traditional name
[2-(4-methoxyphenyl)ethyl](pyridin-2-ylmethyl)amine
Synonyms
2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CAS Number
355382-90-0
MDL Number
MFCD01135775

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) -0.645026  LogD (pH = 7.4) 0.9760889 
Log P 2.250857  Molar Refractivity 72.4577 cm3
Polarizability 28.53481 Å3 Polar Surface Area 34.15 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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