2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate

C86H188N5O23+ — CID 158438121

IUPAC2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)OCO.CC(C)(C)O.CC(C)O.CC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CC(C)OC(=O)OCO.CCC(N)C(=O)OC(C)C.CCOc1ccccc1CO.CCOc1ccccc1O.C[N+](C)(C)CCO.NCCO.OCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H12O2.C8H10O2.C7H15NO2.C7H8O.C6H13NO2.C6H12O3.C6H6O.C5H11NO2.C5H14NO.C5H10O4.C4H10O.C3H8O.C2H7NO.13CH4/c1-2-11-9-6-4-3-5-8(9)7-10;1-2-10-8-6-4-3-5-7(8)9;1-4-6(8)7(9)10-5(2)3;8-6-7-4-2-1-3-5-7;1-4(2)9-6(8)5(3)7;1-6(2,3)5(8)9-4-7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6;1-6(2,3)4-5-7;1-4(2)9-5(7)8-3-6;1-4(2,3)5;1-3(2)4;3-1-2-4;;;;;;;;;;;;;/h3-6,10H,2,7H2,1H3;3-6,9H,2H2,1H3;5-6H,4,8H2,1-3H3;1-5,8H,6H2;4-5H,7H2,1-3H3;7H,4H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3;7H,4-5H2,1-3H3;4,6H,3H2,1-2H3;5H,1-3H3;3-4H,1-2H3;4H,1-3H2;13*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;
InChIKeyHCMDJSHIRKPZMD-UHFFFAOYSA-N
MW1660.46 g/mol
LogP15.88
Rot. Bonds19

About 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate

2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate (PubChem CID 158438121) has the molecular formula C86H188N5O23+ and a molecular weight of 1660.46 g/mol. Its IUPAC name is 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate.

Molecular Properties

Compound Name2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
PubChem CID158438121
Molecular FormulaC86H188N5O23+
Molecular Weight1660.46 g/mol
Exact Mass1659.37
IUPAC Name2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)OCO.CC(C)(C)O.CC(C)O.CC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CC(C)OC(=O)OCO.CCC(N)C(=O)OC(C)C.CCOc1ccccc1CO.CCOc1ccccc1O.C[N+](C)(C)CCO.NCCO.OCc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H12O2.C8H10O2.C7H15NO2.C7H8O.C6H13NO2.C6H12O3.C6H6O.C5H11NO2.C5H14NO.C5H10O4.C4H10O.C3H8O.C2H7NO.13CH4/c1-2-11-9-6-4-3-5-8(9)7-10;1-2-10-8-6-4-3-5-7(8)9;1-4-6(8)7(9)10-5(2)3;8-6-7-4-2-1-3-5-7;1-4(2)9-6(8)5(3)7;1-6(2,3)5(8)9-4-7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6;1-6(2,3)4-5-7;1-4(2)9-5(7)8-3-6;1-4(2,3)5;1-3(2)4;3-1-2-4;;;;;;;;;;;;;/h3-6,10H,2,7H2,1H3;3-6,9H,2H2,1H3;5-6H,4,8H2,1-3H3;1-5,8H,6H2;4-5H,7H2,1-3H3;7H,4H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3;7H,4-5H2,1-3H3;4,6H,3H2,1-2H3;5H,1-3H3;3-4H,1-2H3;4H,1-3H2;13*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;
InChIKeyHCMDJSHIRKPZMD-UHFFFAOYSA-N
XLogP15.88
TPSA465.57 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001660.46
LogP ≤ 515.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate with MolForge

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Related Compounds

phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
CID 159230646
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
diethyl 2-methyl-2-[2-(2-phenylmethoxyphenyl)ethyl]propanedioate;diethyl 2-methylpropanedioate
CID 70146354
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
4-methylpentan-2-yl 2-aminoacetate;phenol
CID 145114539
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
CID 84678223
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-1-(2-ethoxyphenyl)-2-oxo-5-phenylpentan-3-yl]butanediamide
CID 159511773

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The IUPAC name of 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate (CID 158438121) is 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate.
What is the SMILES notation for 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The canonical SMILES for 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)OCO.CC(C)(C)O.CC(C)O.CC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CC(C)OC(=O)OCO.CCC(N)C(=O)OC(C)C.CCOc1ccccc1CO.CCOc1ccccc1O.C[N+](C)(C)CCO.NCCO.OCc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The InChIKey is HCMDJSHIRKPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C8H10O2.C7H15NO2.C7H8O.C6H13NO2.C6H12O3.C6H6O.C5H11NO2.C5H14NO.C5H10O4.C4H10O.C3H8O.C2H7NO.13CH4/c1-2-11-9-6-4-3-5-8(9)7-10;1-2-10-8-6-4-3-5-7(8)9;1-4-6(8)7(9)10-5(2)3;8-6-7-4-2-1-3-5-7;1-4(2)9-6(8)5(3)7;1-6(2,3)5(8)9-4-7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6;1-6(2,3)4-5-7;1-4(2)9-5(7)8-3-6;1-4(2,3)5;1-3(2)4;3-1-2-4;;;;;;;;;;;;;/h3-6,10H,2,7H2,1H3;3-6,9H,2H2,1H3;5-6H,4,8H2,1-3H3;1-5,8H,6H2;4-5H,7H2,1-3H3;7H,4H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3;7H,4-5H2,1-3H3;4,6H,3H2,1-2H3;5H,1-3H3;3-4H,1-2H3;4H,1-3H2;13*1H4/q;;;;;;;;+1;;;;;;;;;;;;;;;;;.
What are the key properties of 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate has a molecular weight of 1660.46 g/mol, XLogP of 15.88, 19 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate is sourced from PubChem (CID 158438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).