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(1S)-1-(4-isopropoxyphenyl)ethanamine hydrochloride

(1S)-1-(4-isopropoxyphenyl)ethanamine hydrochloride

CAS: 1415257-41-8

Formula: C11H18ClNO

SMILES: Cl[H].CC(C)OC1=CC=C(C=C1)[C@H](C)N

IUPAC: (1S)-1-[4-(propan-2-yloxy)phenyl]ethan-1-amine hydrochloride

InChI: InChI=1S/C11H17NO.ClH/c1-8(2)13-11-6-4-10(5-7-11)9(3)12;/h4-9H,12H2,1-3H3;1H/t9-;/m0./s1

Composition: C (61.25%), H (8.41%), Cl (16.43%), N (6.49%), O (7.42%)

Molar Mass: 215.72

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 215.1076919
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZFAXPIYAUOLSGN-FVGYRXGTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.58
Topological Polar Surface Area 35.25
Polarizability 21.76
Ring Count 1
Rotatable Bond Count 3

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