1-ethoxy-3-(4-methoxybutylamino)propan-2-ol

C10H23NO3 — CID 63933667

IUPAC1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
SMILESCCOCC(O)CNCCCCOC
InChIInChI=1S/C10H23NO3/c1-3-14-9-10(12)8-11-6-4-5-7-13-2/h10-12H,3-9H2,1-2H3
InChIKeySWWHOHBWPFYXDQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.40
Rot. Bonds10

About 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol

1-ethoxy-3-(4-methoxybutylamino)propan-2-ol (PubChem CID 63933667) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
PubChem CID63933667
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
SMILESCCOCC(O)CNCCCCOC
InChIInChI=1S/C10H23NO3/c1-3-14-9-10(12)8-11-6-4-5-7-13-2/h10-12H,3-9H2,1-2H3
InChIKeySWWHOHBWPFYXDQ-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-ethoxy-5-methoxypentan-2-ol
CID 79566643

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol (CID 63933667) is 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol is CCOCC(O)CNCCCCOC.
What is the InChIKey of 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol?
The InChIKey is SWWHOHBWPFYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-3-14-9-10(12)8-11-6-4-5-7-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol?
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-methoxybutylamino)propan-2-ol is sourced from PubChem (CID 63933667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).