(S)-1-(4-Chlorophenyl)ethylamine

Details:

1. Introduction of (S)-1-(4-Chlorophenyl)ethylamine

The (S)-1-(4-Chlorophenyl)ethylamine, with its CAS NO 4187-56-8, is a kind of Clear colorless to yellowish liquid. It has synonyms of Benzenemethanamine,4-chloro-a-methyl-, (S)-;Benzylamine,p-chloro-a-methyl-, (-)- (8CI);(-)-p-Chloro-a-methylbenzylamine;(-)-a-(p-Chlorophenyl)ethylamine;(1S)-1-(4-Chlorophenyl)ethanamine;(S)-(-)-1-(4-Chlorophenyl)ethylamine;(S)-1-(p-Chlorophenyl)ethylamine (S)-4-Chloro-a-methylbenzenemethanamine.
 

2. Properties of (S)-1-(4-Chlorophenyl)ethylamine

(1) XLogP3-AA 1.8  (2) H-Bond Don1  (3) H-Bond Accept1
(4) Rotatable Bond Count 1  (5) Exact Mass 155.050177  (6) MonoIsotopic Mass 155.050177
(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 Ring Count 1
(15) Effective RotCount 1  (16) Conformer Sampling RMSD 0.4  (17) CID Conformer Count 3
 

3. Structure descriptors of (S)-1-(4-Chlorophenyl)ethylamine

IUPAC Name: (1S)-1-(4-chlorophenyl)ethanamine

InChI: InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N

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