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3-(3,5-dimethylphenoxy)pyrrolidine hydrochloride

3-(3,5-dimethylphenoxy)pyrrolidine hydrochloride

CAS: 28491-05-6

Formula: C12H18ClNO

SMILES: Cl.CC1=CC(OC2CCNC2)=CC(C)=C1

IUPAC: 3-(3,5-dimethylphenoxy)pyrrolidine hydrochloride

InChI: InChI=1/C12H17NO.ClH/c1-9-5-10(2)7-12(6-9)14-11-3-4-13-8-11;/h5-7,11,13H,3-4,8H2,1-2H3;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 KPIZIOVTNKOHPX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.89
Topological Polar Surface Area 21.26
Polarizability 22.71
Ring Count 2
Rotatable Bond Count 2

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