1-ethoxy-3-(2-phenylpropylamino)propan-2-ol

C14H23NO2 — CID 113430199

IUPAC1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
SMILESCCOCC(O)CNCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-17-11-14(16)10-15-9-12(2)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyXYCYWHUMDQEPHR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.78
Rot. Bonds8

About 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol

1-ethoxy-3-(2-phenylpropylamino)propan-2-ol (PubChem CID 113430199) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
PubChem CID113430199
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
SMILESCCOCC(O)CNCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-17-11-14(16)10-15-9-12(2)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyXYCYWHUMDQEPHR-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
CID 107095421

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol (CID 113430199) is 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol is CCOCC(O)CNCC(C)c1ccccc1.
What is the InChIKey of 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol?
The InChIKey is XYCYWHUMDQEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-11-14(16)10-15-9-12(2)13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol?
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-phenylpropylamino)propan-2-ol is sourced from PubChem (CID 113430199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).