Home Amines 101488-65-7
101488-65-7,MFCD07374078
Catalog No.:AA0004IV
101488-65-7 | 3-(4-Fluorophenyl)propan-1-amine
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250mg
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004IV
Chemical Name:
3-(4-Fluorophenyl)propan-1-amine
CAS Number:
101488-65-7
Molecular Formula:
C9H12FN
Molecular Weight:
153.1967
MDL Number:
MFCD07374078
IUPAC Name:
3-(4-fluorophenyl)propan-1-amine
InChI:
InChI=1S/C9H12FN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChI Key:
IIFDQESZTDBKEM-UHFFFAOYSA-N
SMILES:
NCCCc1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.2g/mol
Monoisotopic Mass:
153.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(4-fluorophenyl)propan-1-amine 
101488-65-7 
[3-(4-fluorophenyl)propyl]amine 
DTXSID00424328 
IIFDQESZTDBKEM-UHFFFAOYSA-N 
4-FLUORO-BENZENEPROPANAMINE 
HMS1704M03 
3-(4-fluorophenyl)-1-propylamine 
ALBB-027050 
ZINC4992617 
3-(4-Fluorophenyl) propan-1-amine 
BBL003674 
3-(4-Fluoro-phenyl)-propylamine 
MFCD07374078 
SP4065 
STK873733 
1-(para-fluorophenyl)-3-aminopropane 
AKOS000345102 
AB38689 
FS-5717 
MCULE-4673923418 
RTR-000386 
AJ-52812 
3-(4-fluorophenyl)propylamine 
ST072519 
3-(4-FLUOROPHENYL)-1-PROPANAMINE 
TR-000386 
BB 0253611 
FT-0678677 
3-(4-fluoro-phenyl)-propylamine, AldrichCPR 
Y-2867 
I05-2145 
F9995-2095 
CID6483796 
Benzenepropanamine, 4-fluoro- 
3-(4-fluorophenyl)-propylamine 
BAS 02709411 
AC1O5GE8 
SCHEMBL1319643 
CTK3J9827 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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