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343854-19-3 molecular structure
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(butan-2-yl)[(4-fluorophenyl)methyl]amine

ChemBase ID: 307896
Molecular Formular: C11H16FN
Molecular Mass: 181.2498432
Monoisotopic Mass: 181.12667774
SMILES and InChIs

SMILES:
N(Cc1ccc(F)cc1)C(CC)C
Canonical SMILES:
CCC(NCc1ccc(cc1)F)C
InChI:
InChI=1S/C11H16FN/c1-3-9(2)13-8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKey:
ZDIMCFHGMAHYSX-UHFFFAOYSA-N

Cite this record

CBID:307896 http://www.chembase.cn/molecule-307896.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(butan-2-yl)[(4-fluorophenyl)methyl]amine
IUPAC Traditional name
[(4-fluorophenyl)methyl](sec-butyl)amine
Synonyms
N-(4-fluorobenzyl)butan-2-amine
CAS Number
343854-19-3
MDL Number
MFCD04588681

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.23525508  LogD (pH = 7.4) 0.62853837 
Log P 2.970202  Molar Refractivity 53.2138 cm3
Polarizability 20.708271 Å3 Polar Surface Area 12.03 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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