3-(6-Methoxy-3-indolyl)-1-propanamine - CAS 105338-78-1

Catalog:	BB001611
Product Name:	3-(6-Methoxy-3-indolyl)-1-propanamine
CAS:	105338-78-1
Synonyms:	3-(6-methoxy-1H-indol-3-yl)-1-propanamine; 3-(6-methoxy-1H-indol-3-yl)propan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(6-methoxy-1H-indol-3-yl)propan-1-amine
Description:	3-(6-Methoxy-3-indolyl)-1-propanamine (CAS# 105338-78-1 ) is a useful research chemical.
Molecular Weight:	204.27
Molecular Formula:	C12H16N2O
Canonical SMILES:	COC1=CC2=C(C=C1)C(=CN2)CCCN
InChI:	InChI=1S/C12H16N2O/c1-15-10-4-5-11-9(3-2-6-13)8-14-12(11)7-10/h4-5,7-8,14H,2-3,6,13H2,1H3
InChI Key:	ZSXGEDVGARKXMZ-UHFFFAOYSA-N
LogP:	2.76810

Publication Number	Title	Priority Date
TW-200800220-A	New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds	20051026
BR-PI0611313-A2	heterocyclic spiro compounds	20050531
CA-2609660-A1	Heterocyclic spiro-compounds as aldosterone synthase inhibitors	20050531
EP-1896481-A2	Heterocyclic spiro-compounds as aldosterone synthase inhibitors	20050531
EP-1896481-B1	Heterocyclic spiro-compounds as aldosterone synthase inhibitors	20050531

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.126263138
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	204.126263138
Rotatable Bond Count:	4
Topological Polar Surface Area:	51
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1