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[(1R,2S)-2-(benzylamino)cyclohexyl]methanol

[(1R,2S)-2-(benzylamino)cyclohexyl]methanol

CAS: 71581-92-5

Formula: C14H21NO

SMILES: OC[C@@H]1CCCC[C@@H]1NCC1=CC=CC=C1

IUPAC: [(1R,2S)-2-(benzylamino)cyclohexyl]methanol

InChI: InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14+/m0/s1

Composition: C (76.67%), H (9.65%), N (6.39%), O (7.29%)

Molar Mass: 219.328

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 219.1623143
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BRQFIORUNWWNBM-KBPBESRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.62
Topological Polar Surface Area 32.26
Polarizability 26.5
Ring Count 2
Rotatable Bond Count 4

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