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374910-04-0 molecular structure
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3-(furan-2-yl)-3-phenylpropan-1-amine

ChemBase ID: 306544
Molecular Formular: C13H15NO
Molecular Mass: 201.2643
Monoisotopic Mass: 201.11536411
SMILES and InChIs

SMILES:
c1(occc1)C(c1ccccc1)CCN
Canonical SMILES:
NCCC(c1ccco1)c1ccccc1
InChI:
InChI=1S/C13H15NO/c14-9-8-12(13-7-4-10-15-13)11-5-2-1-3-6-11/h1-7,10,12H,8-9,14H2
InChIKey:
UHZRFMKKTZNLNH-UHFFFAOYSA-N

Cite this record

CBID:306544 http://www.chembase.cn/molecule-306544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(furan-2-yl)-3-phenylpropan-1-amine
IUPAC Traditional name
3-(furan-2-yl)-3-phenylpropan-1-amine
Synonyms
3-(2-furyl)-3-phenylpropan-1-amine
CAS Number
374910-04-0
MDL Number
MFCD02235141

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) -0.78400683  LogD (pH = 7.4) -0.2476264 
Log P 2.2353601  Molar Refractivity 60.9989 cm3
Polarizability 23.777967 Å3 Polar Surface Area 39.16 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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