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

C8H19NO2 — CID 15683481

IUPAC1-ethoxy-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCC
InChIInChI=1S/C8H19NO2/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3
InChIKeyPGJFGCAFNFKBGV-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.38
Rot. Bonds7

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

1-ethoxy-3-(propylamino)propan-2-ol (PubChem CID 15683481) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethoxy-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(propylamino)propan-2-ol
PubChem CID15683481
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-ethoxy-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)COCC
InChIInChI=1S/C8H19NO2/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3
InChIKeyPGJFGCAFNFKBGV-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(propylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(propylamino)propan-2-ol (CID 15683481) is 1-ethoxy-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(propylamino)propan-2-ol is CCCNCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-(propylamino)propan-2-ol?
The InChIKey is PGJFGCAFNFKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-5-9-6-8(10)7-11-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-3-(propylamino)propan-2-ol?
1-ethoxy-3-(propylamino)propan-2-ol has a molecular weight of 161.25 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(propylamino)propan-2-ol is sourced from PubChem (CID 15683481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).