1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol

C9H21NO3 — CID 62013826

IUPAC1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCCOCCN(C)CC(O)COC
InChIInChI=1S/C9H21NO3/c1-4-13-6-5-10(2)7-9(11)8-12-3/h9,11H,4-8H2,1-3H3
InChIKeyBNTOJLDVGZTQAZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.04
Rot. Bonds8

About 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol

1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 62013826) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID62013826
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
SMILESCCOCCN(C)CC(O)COC
InChIInChI=1S/C9H21NO3/c1-4-13-6-5-10(2)7-9(11)8-12-3/h9,11H,4-8H2,1-3H3
InChIKeyBNTOJLDVGZTQAZ-UHFFFAOYSA-N
XLogP-0.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol (CID 62013826) is 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol is CCOCCN(C)CC(O)COC.
What is the InChIKey of 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is BNTOJLDVGZTQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-4-13-6-5-10(2)7-9(11)8-12-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol?
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62013826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).