3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol

C16H25NO4 — CID 103904775

IUPAC3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CC(C)NCC2(O)CCOC2)cc1OC
InChIInChI=1S/C16H25NO4/c1-12(17-10-16(18)6-7-21-11-16)8-13-4-5-14(19-2)15(9-13)20-3/h4-5,9,12,17-18H,6-8,10-11H2,1-3H3
InChIKeyIMGIJCNUIJTOAV-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.38
Rot. Bonds7

About 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol

3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol (PubChem CID 103904775) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
PubChem CID103904775
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
SMILESCOc1ccc(CC(C)NCC2(O)CCOC2)cc1OC
InChIInChI=1S/C16H25NO4/c1-12(17-10-16(18)6-7-21-11-16)8-13-4-5-14(19-2)15(9-13)20-3/h4-5,9,12,17-18H,6-8,10-11H2,1-3H3
InChIKeyIMGIJCNUIJTOAV-UHFFFAOYSA-N
XLogP1.38
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904882
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
N'-hydroxy-4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106101834
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol (CID 103904775) is 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol is COc1ccc(CC(C)NCC2(O)CCOC2)cc1OC.
What is the InChIKey of 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
The InChIKey is IMGIJCNUIJTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(17-10-16(18)6-7-21-11-16)8-13-4-5-14(19-2)15(9-13)20-3/h4-5,9,12,17-18H,6-8,10-11H2,1-3H3.
What are the key properties of 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol?
3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol has a molecular weight of 295.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dimethoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).