1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol

C17H27NO3 — CID 106401529

IUPAC1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COc1cccc(CC)c1
InChIInChI=1S/C17H27NO3/c1-3-5-10-20-11-9-18-13-16(19)14-21-17-8-6-7-15(4-2)12-17/h3,6-8,12,16,18-19H,1,4-5,9-11,13-14H2,2H3
InChIKeyQZBMOSPGQSDDJO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.17
Rot. Bonds12

About 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol

1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol (PubChem CID 106401529) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
PubChem CID106401529
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
SMILESC=CCCOCCNCC(O)COc1cccc(CC)c1
InChIInChI=1S/C17H27NO3/c1-3-5-10-20-11-9-18-13-16(19)14-21-17-8-6-7-15(4-2)12-17/h3,6-8,12,16,18-19H,1,4-5,9-11,13-14H2,2H3
InChIKeyQZBMOSPGQSDDJO-UHFFFAOYSA-N
XLogP2.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)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

(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417544
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-ethylphenoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80584604
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol (CID 106401529) is 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol is C=CCCOCCNCC(O)COc1cccc(CC)c1.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol?
The InChIKey is QZBMOSPGQSDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-5-10-20-11-9-18-13-16(19)14-21-17-8-6-7-15(4-2)12-17/h3,6-8,12,16,18-19H,1,4-5,9-11,13-14H2,2H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol?
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.17, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 106401529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).