(1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol

(1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol

CAS: 114389-70-7

Formula: C17H29NO

SMILES: CCCCN(CCCC)[C@H](C)[C@@H](O)C1=CC=CC=C1

IUPAC: (1S,2R)-2-(dibutylamino)-1-phenylpropan-1-ol

InChI: InChI=1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m1/s1

Composition: C (77.51%), H (11.10%), N (5.32%), O (6.07%)

Molar Mass: 263.425

Atom Count: 48

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	263.224914558
Formal Charge	0
FSP3	0.65
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BRRGNOFUBFINSX-NVXWUHKLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.73
Topological Polar Surface Area	23.47
Polarizability	32.78
Ring Count	1
Rotatable Bond Count	9

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