4-amino-3-ethoxy-3-phenylbutan-2-ol

C12H19NO2 — CID 13441348

IUPAC4-amino-3-ethoxy-3-phenylbutan-2-ol
SMILESCCOC(CN)(c1ccccc1)C(C)O
InChIInChI=1S/C12H19NO2/c1-3-15-12(9-13,10(2)14)11-7-5-4-6-8-11/h4-8,10,14H,3,9,13H2,1-2H3
InChIKeyAPFQKSIUUTVOOX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds5

About 4-amino-3-ethoxy-3-phenylbutan-2-ol

4-amino-3-ethoxy-3-phenylbutan-2-ol (PubChem CID 13441348) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-3-ethoxy-3-phenylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3-ethoxy-3-phenylbutan-2-ol
PubChem CID13441348
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-amino-3-ethoxy-3-phenylbutan-2-ol
SMILESCCOC(CN)(c1ccccc1)C(C)O
InChIInChI=1S/C12H19NO2/c1-3-15-12(9-13,10(2)14)11-7-5-4-6-8-11/h4-8,10,14H,3,9,13H2,1-2H3
InChIKeyAPFQKSIUUTVOOX-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
5-amino-4,4-diphenylpentan-2-ol
CID 24973034
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
CID 57122421
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
(2R)-3,3-diethoxy-1,1-diphenylpropane-1,2-diol
CID 129388666
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
1-(2-hydroxypropoxy)-1-phenylpropan-1-ol
CID 174629308
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
CID 3060406
1-phenyl-1-propan-2-yloxyethane-1,2-diamine
CID 91418731
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-3-phenylbutan-2-ol?
The IUPAC name of 4-amino-3-ethoxy-3-phenylbutan-2-ol (CID 13441348) is 4-amino-3-ethoxy-3-phenylbutan-2-ol.
What is the SMILES notation for 4-amino-3-ethoxy-3-phenylbutan-2-ol?
The canonical SMILES for 4-amino-3-ethoxy-3-phenylbutan-2-ol is CCOC(CN)(c1ccccc1)C(C)O.
What is the InChIKey of 4-amino-3-ethoxy-3-phenylbutan-2-ol?
The InChIKey is APFQKSIUUTVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-12(9-13,10(2)14)11-7-5-4-6-8-11/h4-8,10,14H,3,9,13H2,1-2H3.
What are the key properties of 4-amino-3-ethoxy-3-phenylbutan-2-ol?
4-amino-3-ethoxy-3-phenylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-3-phenylbutan-2-ol is sourced from PubChem (CID 13441348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).