2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol

C13H21NO2 — CID 61050322

IUPAC2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)(CO)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-4-14-13(3,10-15)11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyPYTXOJSQQOZNJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds6

About 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol

2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol (PubChem CID 61050322) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
PubChem CID61050322
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)(CO)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-4-14-13(3,10-15)11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyPYTXOJSQQOZNJR-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
CID 65233555
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
3-(ethylamino)-3-(4-propoxyphenyl)butanamide
CID 65234068
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
CID 82091776

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol (CID 61050322) is 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol is CCNC(C)(CO)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol?
The InChIKey is PYTXOJSQQOZNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14-13(3,10-15)11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol?
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 61050322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).