Name: Name:3-methyl-2-phenylbutan-1-amine
Brand: Angene
SKU: AG019MUX
Rating: 90 (10 reviews)

3-methyl-2-phenylbutan-1-amine

CAS No.:

196106-01-1

Catalog Number:

AG019MUX

Molecular Formula:

C11H17N

Molecular Weight:

163.2594

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Product Description

Catalog Number:

AG019MUX

Chemical Name:

3-methyl-2-phenylbutan-1-amine

CAS Number:

196106-01-1

Molecular Formula:

C11H17N

Molecular Weight:

163.2594

MDL Number:

MFCD06212629

IUPAC Name:

3-methyl-2-phenylbutan-1-amine

InChI:

InChI=1S/C11H17N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3

InChI Key:

VDMAQVANUGNDOM-UHFFFAOYSA-N

SMILES:

NCC(c1ccccc1)C(C)C

Properties

Complexity:

114

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.264g/mol

Monoisotopic Mass:

163.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1.	Bioorganic & medicinal chemistry 20080801