CAS 2045-79-6 | Benzeneethanamine, 2-methoxy- | CAS Number 2045-79-6

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2045-79-6 | Benzeneethanamine, 2-methoxy-

CAS No: 2045-79-6 Catalog No: AG0029JB MDL No:MFCD00008186

Product Description

Catalog Number:

AG0029JB

Chemical Name:

Benzeneethanamine, 2-methoxy-

CAS Number:

2045-79-6

Molecular Formula:

C9H13NO

Molecular Weight:

151.2056

MDL Number:

MFCD00008186

IUPAC Name:

2-(2-methoxyphenyl)ethanamine

InChI:

InChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3

InChI Key:

WSWPCNMLEVZGSM-UHFFFAOYSA-N

SMILES:

NCCc1ccccc1OC

Properties

Complexity:

106

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

151.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

151.209g/mol

Monoisotopic Mass:

151.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1.	Bioorganic & medicinal chemistry 20080801
1-[2-methoxy-5-(3-phenylpropyl)]-2-aminopropane unexpectedly shows 5-HT(2A) serotonin receptor affinity and antagonist character.	Journal of medicinal chemistry 20010927