3-(5-Fluoro-3-indolyl)-1-propanamine - CAS 245762-27-0

Catalog:	BB018531
Product Name:	3-(5-Fluoro-3-indolyl)-1-propanamine
CAS:	245762-27-0
Synonyms:	3-(5-fluoro-1H-indol-3-yl)-1-propanamine; 3-(5-fluoro-1H-indol-3-yl)propan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(5-fluoro-1H-indol-3-yl)propan-1-amine
Description:	3-(5-Fluoro-3-indolyl)-1-propanamine (CAS# 245762-27-0) is a useful research chemical.
Molecular Weight:	192.23
Molecular Formula:	C11H13FN2
Canonical SMILES:	C1=CC2=C(C=C1F)C(=CN2)CCCN
InChI:	InChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6-7,14H,1-2,5,13H2
InChI Key:	JBFFCANWDYAYFN-UHFFFAOYSA-N
LogP:	2.89860

Publication Number	Title	Priority Date
AU-2010251930-A1	3-alkyl-5-fluoroindole derivatives as myeloperoxidase inhibitors	20090527
JP-2012528120-A	Myeloperoxidase-inhibited 3-alkyl-5-fluoroindole derivatives	20090527
US-2012122948-A1	3-alkyl-5-fluoroindole derivatives as myeloperoxidase inhibitors	20090527
AU-2004261649-A1	3-amino choman and 2-amino tetralin derivatives	20030730
CA-2533363-A1	3-amino choman and 2-amino tetralin derivatives	20030730

PMID	Publication Date	Title	Journal
21090682	20101223	Structure-based design, synthesis, and pharmacological evaluation of 3-(aminoalkyl)-5-fluoroindoles as myeloperoxidase inhibitors	Journal of medicinal chemistry

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Related Functional Groups

Indoles

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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
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5-Benzyloxytryptamine
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.10627659
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.10627659
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1