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1-Cyclopropyl-1-(4-methoxyphenyl)methylamine

1-Cyclopropyl-1-(4-methoxyphenyl)methylamine - CAS 54398-65-1

Name: 1-Cyclopropyl-1-(4-methoxyphenyl)methylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028639
Product Name:	1-Cyclopropyl-1-(4-methoxyphenyl)methylamine
CAS:	54398-65-1
Synonyms:	cyclopropyl-(4-methoxyphenyl)methanamine; cyclopropyl-(4-methoxyphenyl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	cyclopropyl-(4-methoxyphenyl)methanamine
Description:	1-Cyclopropyl-1-(4-methoxyphenyl)methylamine (CAS# 54398-65-1) is used as a reactant in the preparation of substituted aminopyridines and aminopyrazines as protein kinase inhibitors.
Molecular Weight:	177.24
Molecular Formula:	C11H15NO
Canonical SMILES:	COC1=CC=C(C=C1)C(C2CC2)N
InChI:	InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3
InChI Key:	IVVASFZJFLBRPG-UHFFFAOYSA-N
Boiling Point:	287.4 °C at 760 mmHg
Density:	1.107 g/cm³
LogP:	2.80530

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Related Functional Groups

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Publication Number	Title	Priority Date
EP-2200982-B1	Piperidine derivatives as nk3 receptor antagonists	20070914
US-7592345-B2	Piperazine and [1,4]diazepan derivatives as NK antagonists	20070613
US-2007111995-A1	Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors	20031219
US-2008132536-A1	Pyrazolo [3,4-b] pyridine compounds, and their use as pde4 inhibitors	20031219
WO-2005058892-A1	Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors	20031219

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.115364102
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5