1-(3-iodophenyl)propan-2-amine hydrochloride

1-(3-iodophenyl)propan-2-amine hydrochloride

CAS: 20110-56-9

Formula: C9H13ClIN

SMILES: Cl.CC(N)CC1=CC=CC(I)=C1

IUPAC: 1-(3-iodophenyl)propan-2-amine hydrochloride

InChI: InChI=1/C9H12IN.ClH/c1-7(11)5-8-3-2-4-9(10)6-8;/h2-4,6-7H,5,11H2,1H3;1H

Composition: C (36.33%), H (4.40%), Cl (11.91%), I (42.65%), N (4.71%)

Molar Mass: 297.56

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	296.97812
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	LTWHBMCQYRDUKW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.07
Topological Polar Surface Area	26.02
Polarizability	22.33
Ring Count	1
Rotatable Bond Count	2

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