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[(2S)-1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

CAS: 87341-57-9

Formula: C13H19NO

SMILES: CC1=CC=C(CN2CCC[C@H]2CO)C=C1

IUPAC: [(2S)-1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

InChI: InChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-8-2-3-13(14)10-15/h4-7,13,15H,2-3,8-10H2,1H3/t13-/m0/s1

Composition: C (76.06%), H (9.33%), N (6.82%), O (7.79%)

Molar Mass: 205.301

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 205.146664236
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XSYGFTHHPAOYJI-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.15
Topological Polar Surface Area 23.47
Polarizability 24.58
Ring Count 2
Rotatable Bond Count 3

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