hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride

C18H30ClNO2 — CID 91980777

IUPAChydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
SMILESCc1ccccc1OCC(O)CN1C(C)(C)CCC1(C)C.[Cl-].[H+]
InChIInChI=1S/C18H29NO2.ClH/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5;/h6-9,15,20H,10-13H2,1-5H3;1H
InChIKeyAGPGNIVJVGCHFO-UHFFFAOYSA-N
MW327.90 g/mol
LogP0.50
Rot. Bonds5

About hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride

hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride (PubChem CID 91980777) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride.

Molecular Properties

Compound Namehydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
PubChem CID91980777
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Namehydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
SMILESCc1ccccc1OCC(O)CN1C(C)(C)CCC1(C)C.[Cl-].[H+]
InChIInChI=1S/C18H29NO2.ClH/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5;/h6-9,15,20H,10-13H2,1-5H3;1H
InChIKeyAGPGNIVJVGCHFO-UHFFFAOYSA-N
XLogP0.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
CID 3065887
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 1304237
1-[3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 2947424
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363

Frequently Asked Questions

What is the IUPAC name of hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride?
The IUPAC name of hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride (CID 91980777) is hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride.
What is the SMILES notation for hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride?
The canonical SMILES for hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride is Cc1ccccc1OCC(O)CN1C(C)(C)CCC1(C)C.[Cl-].[H+].
What is the InChIKey of hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride?
The InChIKey is AGPGNIVJVGCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5;/h6-9,15,20H,10-13H2,1-5H3;1H.
What are the key properties of hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride?
hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride has a molecular weight of 327.90 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride is sourced from PubChem (CID 91980777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).