Name: Name:(1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine
Brand: Angene
SKU: AG019XPL
Rating: 90 (10 reviews)

(1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine

CAS No.:

1212315-80-4

Catalog Number:

AG019XPL

Molecular Formula:

C9H12BrNO

Molecular Weight:

230.1017

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Product Description

Catalog Number:

AG019XPL

Chemical Name:

(1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine

CAS Number:

1212315-80-4

Molecular Formula:

C9H12BrNO

Molecular Weight:

230.1017

IUPAC Name:

1-(3-bromo-4-methoxyphenyl)ethanamine

InChI:

InChI=1S/C9H12BrNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3

InChI Key:

ODYLWSUKSYAEEN-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Br)[C@H](N)C

Properties

Complexity:

143

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.105g/mol

Monoisotopic Mass:

229.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101