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356537-08-1 molecular structure
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[2-(cyclohex-1-en-1-yl)ethyl][(4-methoxyphenyl)methyl]amine

ChemBase ID: 311649
Molecular Formular: C16H23NO
Molecular Mass: 245.35992
Monoisotopic Mass: 245.17796436
SMILES and InChIs

SMILES:
C1(=CCCCC1)CCNCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CNCCC1=CCCCC1
InChI:
InChI=1S/C16H23NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h5,7-10,17H,2-4,6,11-13H2,1H3
InChIKey:
XFIYFOQIPWAJAD-UHFFFAOYSA-N

Cite this record

CBID:311649 http://www.chembase.cn/molecule-311649.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(cyclohex-1-en-1-yl)ethyl][(4-methoxyphenyl)methyl]amine
IUPAC Traditional name
[2-(cyclohex-1-en-1-yl)ethyl][(4-methoxyphenyl)methyl]amine
Synonyms
(2-cyclohex-1-en-1-ylethyl)(4-methoxybenzyl)amine
CAS Number
356537-08-1
MDL Number
MFCD03211044

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) 0.24664506  LogD (pH = 7.4) 1.1374606 
Log P 3.449242  Molar Refractivity 77.0422 cm3
Polarizability 30.01742 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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