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2-({[3,4-bis(benzyloxy)phenyl]methyl}amino)ethanol hydrochloride

2-({[3,4-bis(benzyloxy)phenyl]methyl}amino)ethanol hydrochloride

CAS: 2421146-32-7

Formula: C23H26ClNO3

SMILES: Cl.OCCNCC1=CC=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1

IUPAC: 2-({[3,4-bis(benzyloxy)phenyl]methyl}amino)ethan-1-ol hydrochloride

InChI: InChI=1S/C23H25NO3.ClH/c25-14-13-24-16-21-11-12-22(26-17-19-7-3-1-4-8-19)23(15-21)27-18-20-9-5-2-6-10-20;/h1-12,15,24-25H,13-14,16-18H2;1H

Composition: C (69.08%), H (6.55%), Cl (8.86%), N (3.50%), O (12.00%)

Molar Mass: 399.92

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 399.1601214
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ROURICFSUKPJOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.75
Topological Polar Surface Area 50.72
Polarizability 42.24
Ring Count 3
Rotatable Bond Count 10

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