4'- Methoxy-[1,1'-biphenyl] - 4- methanamine - CAS 769073-20-3

Catalog:	BB060197
Product Name:	4'- Methoxy-[1,1'-biphenyl] - 4- methanamine
CAS:	769073-20-3
Synonyms:	[4-(4-methoxyphenyl)phenyl]methanamine; 4'-Methoxy-biphenyl-4-methanamine; (4'-Methoxy-[1,1'-biphenyl]-4-yl)methanamine; 4'-Methoxy-[1,1'-biphenyl]-4-methanamine; (4'-Methoxybiphenyl-4-yl)methanamine

Technical Data

IUPAC Name:	[4-(4-methoxyphenyl)phenyl]methanamine
Description:	4'- Methoxy-[1,1'-biphenyl] - 4- methanamine is used to prepare biphenylmethyl urea derivatves as MCH-R1 antagonists for reatment of obesity. It is also used to synthesize the Pseudomonas aeruginosa virulence factor LasB inhibitors.
Molecular Weight:	213.28
Molecular Formula:	C14H15NO
Canonical SMILES:	COC1=CC=C(C=C1)C2=CC=C(C=C2)CN
InChI:	InChI=1S/C14H15NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3
InChI Key:	IWMYHDWDAGSRFY-UHFFFAOYSA-N
References:	Galiano, S., et al. Bioorg. Med. Chem., 15, 3896 (2007); Garner, A>, et al. ACS Med. Chem. Lett., 3, 668 (2012).

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.115364102
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4