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459872-39-0 molecular structure
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[3-(4-fluorophenyl)propyl](methyl)amine

ChemBase ID: 808752
Molecular Formular: C10H14FN
Molecular Mass: 167.2232632
Monoisotopic Mass: 167.11102767
SMILES and InChIs

SMILES:
N(C)CCCc1ccc(cc1)F
Canonical SMILES:
CNCCCc1ccc(cc1)F
InChI:
InChI=1S/C10H14FN/c1-12-8-2-3-9-4-6-10(11)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey:
RXJCNSDBCKPXLX-UHFFFAOYSA-N

Cite this record

CBID:808752 http://www.chembase.cn/molecule-808752.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(4-fluorophenyl)propyl](methyl)amine
IUPAC Traditional name
[3-(4-fluorophenyl)propyl](methyl)amine
Synonyms
[3-(4-FLUORO-PHENYL)-PROPYL]-METHYL-AMINE
CAS Number
459872-39-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26953 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26953 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8220326  LogD (pH = 7.4) -0.31474572 
Log P 2.4075265  Molar Refractivity 48.8784 cm3
Polarizability 18.790869 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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