(R)-(+)-1-(4-Bromophenyl)ethylamine

Details:

1. Introduction of (R)-(+)-1-(4-Bromophenyl)ethylamine

The (R)-(+)-1-(4-Bromophenyl)ethylamine, with its CAS NO 45791-36-4, is a kind of clear colorless liquid. It has synonyms of Benzenemethanamine,4-bromo-a-methyl-, (R)-;(+)-(R)-1-(4-Bromophenyl)ethylamine;(+)-1-(4-Bromophenyl)ethylamine;(+)-1-p-Bromophenylethylamine;(1R)-1-(4-Bromophenyl)ethanamine;(R)-(+)-a-Methyl-p-bromobenzylamine;(R)-1-(4-Bromophenyl)ethanamine;(R)-1-(4-Bromophenyl)ethylamine;(R)-4-Bromo-a-methylbenzylamine (R)-a-Methyl-p-bromobenzylamine.
 

2. Properties of (R)-(+)-1-(4-Bromophenyl)ethylamine

(1) XLogP3-AA 1.9  (2) H-Bond Don1  (3) H-Bond Accept1
(4) Rotatable Bond Count 1  (5) Exact Mass 198.999661  (6) MonoIsotopic Mass 198.999661
(7) Topological Polar Surface Area 26  (8) Heavy Atom Count 10  (9) Complexity 97.4 
(10) Defined Atom Stereocenter Count 1  (11) Covalently-Bonded Unit Count 1
(12) Feature 3D DonCount 1  (13) Feature 3D Cation Count 1
(14) Feature 3D Hydrophobe Count 1  (15) Feature 3D Ring Count 1
(16) Effective RotCount 1  (17) Conformer Sampling RMSD 0.4
(18) CID Conformer Count 3

3. Structure descriptors of (R)-(+)-1-(4-Bromophenyl)ethylamine

IUPAC Name: (1R)-1-(4-bromophenyl)ethanamine

InChI: InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

InChIKey: SOZMSEPDYJGBEK-ZCFIWIBFSA-N

Canonical SMILES : CC(C1=CC=C(C=C1)Br)NIsomeric SMILES: C[C@H](C1=CC=C(C=C1)Br)N