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827328-38-1 molecular structure
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[(4-fluorophenyl)methyl](2-methoxyethyl)amine

ChemBase ID: 255556
Molecular Formular: C10H14FNO
Molecular Mass: 183.2226632
Monoisotopic Mass: 183.10594229
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CNCCOC
Canonical SMILES:
COCCNCc1ccc(cc1)F
InChI:
InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3
InChIKey:
GKBVCPIQDDDVEV-UHFFFAOYSA-N

Cite this record

CBID:255556 http://www.chembase.cn/molecule-255556.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)methyl](2-methoxyethyl)amine
IUPAC Traditional name
[(4-fluorophenyl)methyl](2-methoxyethyl)amine
Synonyms
(4-fluorobenzyl)(2-methoxyethyl)amine
[(4-fluorophenyl)methyl](2-methoxyethyl)amine
CAS Number
827328-38-1
MDL Number
MFCD05863664
PubChem SID
164311466
PubChem CID
3865760

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3865760 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3870935  LogD (pH = 7.4) 0.11832463 
Log P 1.6273211  Molar Refractivity 50.5659 cm3
Polarizability 19.562496 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.684 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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