1-amino-3-ethoxy-2-phenylpropan-2-ol

C11H17NO2 — CID 64813783

IUPAC1-amino-3-ethoxy-2-phenylpropan-2-ol
SMILESCCOCC(O)(CN)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-2-14-9-11(13,8-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3
InChIKeyOLUMSMHJQGLOGZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.87
Rot. Bonds5

About 1-amino-3-ethoxy-2-phenylpropan-2-ol

1-amino-3-ethoxy-2-phenylpropan-2-ol (PubChem CID 64813783) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-ethoxy-2-phenylpropan-2-ol
PubChem CID64813783
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-amino-3-ethoxy-2-phenylpropan-2-ol
SMILESCCOCC(O)(CN)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-2-14-9-11(13,8-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3
InChIKeyOLUMSMHJQGLOGZ-UHFFFAOYSA-N
XLogP0.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
1-amino-3-[2-ethoxyethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 64819365
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
ethoxyethane;triphenylmethanol
CID 70428584
1-amino-3-(3,4-dimethylcyclohexyl)oxy-2-phenylpropan-2-ol
CID 64813393
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
CID 64814630
1-amino-3-phenylpentan-3-ol
CID 79006155
4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
1-amino-3-tert-butylsulfanyl-2-phenylpropan-2-ol
CID 64812177

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-ethoxy-2-phenylpropan-2-ol (CID 64813783) is 1-amino-3-ethoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-ethoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-ethoxy-2-phenylpropan-2-ol is CCOCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-3-ethoxy-2-phenylpropan-2-ol?
The InChIKey is OLUMSMHJQGLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-14-9-11(13,8-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3.
What are the key properties of 1-amino-3-ethoxy-2-phenylpropan-2-ol?
1-amino-3-ethoxy-2-phenylpropan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 64813783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).