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

C15H23NO3 — CID 54938328

IUPAC1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
SMILESCC(NCC(O)COc1ccccc1)C1CCCO1
InChIInChI=1S/C15H23NO3/c1-12(15-8-5-9-18-15)16-10-13(17)11-19-14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17H,5,8-11H2,1H3
InChIKeyKKLBBHUQUVDGGL-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.58
Rot. Bonds7

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

1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol (PubChem CID 54938328) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
PubChem CID54938328
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
SMILESCC(NCC(O)COc1ccccc1)C1CCCO1
InChIInChI=1S/C15H23NO3/c1-12(15-8-5-9-18-15)16-10-13(17)11-19-14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17H,5,8-11H2,1H3
InChIKeyKKLBBHUQUVDGGL-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938470
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
CID 167757207
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol (CID 54938328) is 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol is CC(NCC(O)COc1ccccc1)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol?
The InChIKey is KKLBBHUQUVDGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(15-8-5-9-18-15)16-10-13(17)11-19-14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17H,5,8-11H2,1H3.
What are the key properties of 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol?
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 54938328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).