N-(3,5-Dimethoxybenzyl)cyclopropanamine - CAS 625435-20-3

Catalog:	BB031647
Product Name:	N-(3,5-Dimethoxybenzyl)cyclopropanamine
CAS:	625435-20-3
Synonyms:	N-[(3,5-dimethoxyphenyl)methyl]cyclopropanamine; N-[(3,5-dimethoxyphenyl)methyl]cyclopropanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-[(3,5-dimethoxyphenyl)methyl]cyclopropanamine
Description:	N-(3,5-Dimethoxybenzyl)cyclopropanamine (CAS# 625435-20-3) is a useful research chemical.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	COC1=CC(=CC(=C1)CNC2CC2)OC
InChI:	InChI=1S/C12H17NO2/c1-14-11-5-9(6-12(7-11)15-2)8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3
InChI Key:	BTBDLUOYLCXSMK-UHFFFAOYSA-N
LogP:	2.34670

Publication Number	Title	Priority Date
WO-2019056120-A1	PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF	20170921
EP-3684754-A1	Pentafluorophenyl sulfonamide compounds, compositions and uses thereof	20170921
US-2020277268-A1	Pentafluorophenyl sulfonamide compounds, compositions and uses thereof	20170921
EP-3152188-B1	Novel ep4 agonists as therapeutic compounds	20140606
EP-1908471-A1	Tetrahydropyridines as renin inhibitors	20061004

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Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	30.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8