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MFCD12419563 molecular structure
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ethyl[(4-fluorophenyl)(pyridin-3-yl)methyl]amine

ChemBase ID: 270399
Molecular Formular: C14H15FN2
Molecular Mass: 230.2807032
Monoisotopic Mass: 230.12192671
SMILES and InChIs

SMILES:
C(c1cnccc1)(c1ccc(cc1)F)NCC
Canonical SMILES:
CCNC(c1cccnc1)c1ccc(cc1)F
InChI:
InChI=1S/C14H15FN2/c1-2-17-14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h3-10,14,17H,2H2,1H3
InChIKey:
JEZNSAGYSXVBAE-UHFFFAOYSA-N

Cite this record

CBID:270399 http://www.chembase.cn/molecule-270399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[(4-fluorophenyl)(pyridin-3-yl)methyl]amine
IUPAC Traditional name
ethyl[(4-fluorophenyl)(pyridin-3-yl)methyl]amine
Synonyms
ethyl[(4-fluorophenyl)(pyridin-3-yl)methyl]amine
MDL Number
MFCD12419563
PubChem SID
164326309
PubChem CID
43488830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69258 external link Add to cart Please log in.
Data Source Data ID
PubChem 43488830 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.23804188  LogD (pH = 7.4) 1.4220537 
Log P 2.5976722  Molar Refractivity 66.3969 cm3
Polarizability 25.715773 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.033 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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