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bis[(2-methoxyphenyl)methyl]amine hydrobromide

bis[(2-methoxyphenyl)methyl]amine hydrobromide

CAS: 1609396-44-2

Formula: C16H20BrNO2

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

IUPAC: bis[(2-methoxyphenyl)methyl]amine hydrobromide

InChI: InChI=1S/C16H19NO2.BrH/c1-18-15-9-5-3-7-13(15)11-17-12-14-8-4-6-10-16(14)19-2;/h3-10,17H,11-12H2,1-2H3;1H

Composition: C (56.82%), H (5.96%), Br (23.62%), N (4.14%), O (9.46%)

Molar Mass: 338.245

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.067742
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BMCDHWDSCFKTQV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.85
Topological Polar Surface Area 30.49
Polarizability 30.18
Ring Count 2
Rotatable Bond Count 6

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