1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

C12H28N2O3 — CID 113317594

IUPAC1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCCOCCN(CC)CC(O)CNCCOC
InChIInChI=1S/C12H28N2O3/c1-4-14(7-9-17-5-2)11-12(15)10-13-6-8-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZTTFKDGCRRTCJA-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.06
Rot. Bonds12

About 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317594) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317594
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCCOCCN(CC)CC(O)CNCCOC
InChIInChI=1S/C12H28N2O3/c1-4-14(7-9-17-5-2)11-12(15)10-13-6-8-16-3/h12-13,15H,4-11H2,1-3H3
InChIKeyZTTFKDGCRRTCJA-UHFFFAOYSA-N
XLogP-0.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 63691778
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131
1-[2-(diethylamino)ethylsulfanyl]-3-(2-methoxyethylamino)propan-2-ol
CID 113317899
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (CID 113317594) is 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is CCOCCN(CC)CC(O)CNCCOC.
What is the InChIKey of 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is ZTTFKDGCRRTCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-4-14(7-9-17-5-2)11-12(15)10-13-6-8-16-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of -0.06, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).