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2-[1-(benzylamino)ethyl]phenol hydrochloride

2-[1-(benzylamino)ethyl]phenol hydrochloride

CAS: 1071628-77-7

Formula: C15H18ClNO

SMILES: Cl.CC(NCC1=CC=CC=C1)C1=CC=CC=C1O

IUPAC: 2-[1-(benzylamino)ethyl]phenol hydrochloride

InChI: InChI=1/C15H17NO.ClH/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13;/h2-10,12,16-17H,11H2,1H3;1H

Composition: C (68.31%), H (6.88%), Cl (13.44%), N (5.31%), O (6.07%)

Molar Mass: 263.77

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 263.1076919
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZTQORMGVVUIWJB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.32
Topological Polar Surface Area 32.26
Polarizability 27.62
Ring Count 2
Rotatable Bond Count 4

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