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[(2-methoxyphenyl)methyl]({[4-(methylsulfanyl)phenyl]methyl})amine hydrobromide

[(2-methoxyphenyl)methyl]({[4-(methylsulfanyl)phenyl]methyl})amine hydrobromide

CAS: 1609395-94-9

Formula: C16H20BrNOS

SMILES: Br.COC1=C(CNCC2=CC=C(SC)C=C2)C=CC=C1

IUPAC: [(2-methoxyphenyl)methyl]({[4-(methylsulfanyl)phenyl]methyl})amine hydrobromide

InChI: InChI=1S/C16H19NOS.BrH/c1-18-16-6-4-3-5-14(16)12-17-11-13-7-9-15(19-2)10-8-13;/h3-10,17H,11-12H2,1-2H3;1H

Composition: C (54.24%), H (5.69%), Br (22.55%), N (3.95%), O (4.52%), S (9.05%)

Molar Mass: 354.31

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 353.044898
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OZMVEMJBGPXFQK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.14
Topological Polar Surface Area 21.26
Polarizability 32.57
Ring Count 2
Rotatable Bond Count 6

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