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915922-08-6 molecular structure
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2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethan-1-amine

ChemBase ID: 307907
Molecular Formular: C15H24N2
Molecular Mass: 232.36446
Monoisotopic Mass: 232.19394878
SMILES and InChIs

SMILES:
N1(C(c2c(C)cccc2)CN)CCC(CC1)C
Canonical SMILES:
NCC(c1ccccc1C)N1CCC(CC1)C
InChI:
InChI=1S/C15H24N2/c1-12-7-9-17(10-8-12)15(11-16)14-6-4-3-5-13(14)2/h3-6,12,15H,7-11,16H2,1-2H3
InChIKey:
ZYKVFXBMJPZELG-UHFFFAOYSA-N

Cite this record

CBID:307907 http://www.chembase.cn/molecule-307907.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethan-1-amine
IUPAC Traditional name
2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
Synonyms
2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CAS Number
915922-08-6
MDL Number
MFCD08691727

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) -0.82094884  LogD (pH = 7.4) 0.47441223 
Log P 2.8282325  Molar Refractivity 73.9525 cm3
Polarizability 29.212513 Å3 Polar Surface Area 29.26 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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