2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol

C12H23NO3 — CID 115890629

IUPAC2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCC(NCC(O)C1CCOC1)C1CC1
InChIInChI=1S/C12H23NO3/c1-15-8-11(9-2-3-9)13-6-12(14)10-4-5-16-7-10/h9-14H,2-8H2,1H3
InChIKeyFSNREKQPNOIHAK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.40
Rot. Bonds7

About 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol

2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 115890629) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID115890629
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCC(NCC(O)C1CCOC1)C1CC1
InChIInChI=1S/C12H23NO3/c1-15-8-11(9-2-3-9)13-6-12(14)10-4-5-16-7-10/h9-14H,2-8H2,1H3
InChIKeyFSNREKQPNOIHAK-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 81338401
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol (CID 115890629) is 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol is COCC(NCC(O)C1CCOC1)C1CC1.
What is the InChIKey of 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is FSNREKQPNOIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-8-11(9-2-3-9)13-6-12(14)10-4-5-16-7-10/h9-14H,2-8H2,1H3.
What are the key properties of 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol?
2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 229.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115890629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).