1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

C10H21NO3 — CID 63928603

IUPAC1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCC1CCCO1
InChIInChI=1S/C10H21NO3/c1-13-8-9(12)7-11-5-4-10-3-2-6-14-10/h9-12H,2-8H2,1H3
InChIKeyXCTOSNZVPDUFJN-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.15
Rot. Bonds7

About 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol

1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 63928603) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID63928603
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCC1CCCO1
InChIInChI=1S/C10H21NO3/c1-13-8-9(12)7-11-5-4-10-3-2-6-14-10/h9-12H,2-8H2,1H3
InChIKeyXCTOSNZVPDUFJN-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.15
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

(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
4,4-dimethyl-1-[2-(oxolan-2-yl)ethylamino]pentan-2-ol
CID 107152092
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106494643
1-methoxy-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
CID 102672307
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol (CID 63928603) is 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is COCC(O)CNCCC1CCCO1.
What is the InChIKey of 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is XCTOSNZVPDUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-8-9(12)7-11-5-4-10-3-2-6-14-10/h9-12H,2-8H2,1H3.
What are the key properties of 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol?
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63928603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).