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355383-23-2 molecular structure
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N-[(4-methoxynaphthalen-1-yl)methyl]cyclohexanamine

ChemBase ID: 310868
Molecular Formular: C18H23NO
Molecular Mass: 269.38132
Monoisotopic Mass: 269.17796436
SMILES and InChIs

SMILES:
c12c(c(ccc1CNC1CCCCC1)OC)cccc2
Canonical SMILES:
COc1ccc(c2c1cccc2)CNC1CCCCC1
InChI:
InChI=1S/C18H23NO/c1-20-18-12-11-14(16-9-5-6-10-17(16)18)13-19-15-7-3-2-4-8-15/h5-6,9-12,15,19H,2-4,7-8,13H2,1H3
InChIKey:
KMWIGJJYYICGDK-UHFFFAOYSA-N

Cite this record

CBID:310868 http://www.chembase.cn/molecule-310868.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-methoxynaphthalen-1-yl)methyl]cyclohexanamine
IUPAC Traditional name
N-[(4-methoxynaphthalen-1-yl)methyl]cyclohexanamine
Synonyms
N-[(4-methoxy-1-naphthyl)methyl]cyclohexanamine
CAS Number
355383-23-2
MDL Number
MFCD01135877

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) 0.93104136  LogD (pH = 7.4) 1.3862654 
Log P 4.1626706  Molar Refractivity 83.2336 cm3
Polarizability 34.15475 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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