Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 291.42836 [g/mol] Molecular Formula C18H29NO2 XLogP 3.8 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 5 Exact Mass 291.219829 MonoIsotopic Mass 291.219829 Topological Polar Surface Area 32.7 Heavy Atom Count 21 Formal Charge 0 Complexity 324 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
Canonical SMILES: CC1=CC(=CC=C1)OCC(CN2C(CCC2(C)C)(C)C)O
InChI: InChI=1/C18H29NO2/c1-14-7-6-8-16(11-14)21-13-15(20)12-19-17(2,
3)9-10-18(19,4)5/h6-8,11,15,20H,9-10,12-13H2,1-5H3
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