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[2-(3,4-dimethoxyphenyl)ethyl][(3-fluorophenyl)methyl]amine hydrobromide

[2-(3,4-dimethoxyphenyl)ethyl][(3-fluorophenyl)methyl]amine hydrobromide

CAS: 1609395-98-3

Formula: C17H21BrFNO2

SMILES: Br.COC1=C(OC)C=C(CCNCC2=CC(F)=CC=C2)C=C1

IUPAC: [2-(3,4-dimethoxyphenyl)ethyl][(3-fluorophenyl)methyl]amine hydrobromide

InChI: InChI=1S/C17H20FNO2.BrH/c1-20-16-7-6-13(11-17(16)21-2)8-9-19-12-14-4-3-5-15(18)10-14;/h3-7,10-11,19H,8-9,12H2,1-2H3;1H

Composition: C (55.15%), H (5.72%), Br (21.58%), F (5.13%), N (3.78%), O (8.64%)

Molar Mass: 370.262

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 369.07397
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LHEFVJKYIWQVRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.82
Topological Polar Surface Area 30.49
Polarizability 31.58
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1609395-98-3 $28.75-$1,214.40$28.75$116.15$297.85$1,214.40
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