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156482-75-6 molecular structure
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2-(2-methoxynaphthalen-1-yl)ethan-1-amine

ChemBase ID: 306764
Molecular Formular: C13H15NO
Molecular Mass: 201.2643
Monoisotopic Mass: 201.11536411
SMILES and InChIs

SMILES:
c1(c2c(ccc1OC)cccc2)CCN
Canonical SMILES:
NCCc1c(OC)ccc2c1cccc2
InChI:
InChI=1S/C13H15NO/c1-15-13-7-6-10-4-2-3-5-11(10)12(13)8-9-14/h2-7H,8-9,14H2,1H3
InChIKey:
IBGVDLDIASPYHY-UHFFFAOYSA-N

Cite this record

CBID:306764 http://www.chembase.cn/molecule-306764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxynaphthalen-1-yl)ethan-1-amine
IUPAC Traditional name
2-(2-methoxynaphthalen-1-yl)ethanamine
Synonyms
2-(2-methoxy-1-naphthyl)ethanamine
CAS Number
156482-75-6
MDL Number
MFCD08448793

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) -0.7835122  LogD (pH = 7.4) 0.010857056 
Log P 2.219481  Molar Refractivity 62.1998 cm3
Polarizability 25.584583 Å3 Polar Surface Area 35.25 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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