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3-(3-ethylphenoxy)pyrrolidine hydrochloride

3-(3-ethylphenoxy)pyrrolidine hydrochloride

CAS: 946681-79-4

Formula: C12H18ClNO

SMILES: Cl.CCC1=CC=CC(OC2CCNC2)=C1

IUPAC: 3-(3-ethylphenoxy)pyrrolidine hydrochloride

InChI: InChI=1/C12H17NO.ClH/c1-2-10-4-3-5-11(8-10)14-12-6-7-13-9-12;/h3-5,8,12-13H,2,6-7,9H2,1H3;1H

Composition: C (63.29%), H (7.97%), Cl (15.57%), N (6.15%), O (7.03%)

Molar Mass: 227.73

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 227.1076919
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IZJIYWGMTJMMPJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.45
Topological Polar Surface Area 21.26
Polarizability 22.79
Ring Count 2
Rotatable Bond Count 3

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