2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol

C15H23NO4 — CID 104760779

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCC2(OC)CCOC2)c1
InChIInChI=1S/C15H23NO4/c1-18-13-5-3-4-12(8-13)14(17)9-16-10-15(19-2)6-7-20-11-15/h3-5,8,14,16-17H,6-7,9-11H2,1-2H3
InChIKeyJJBFSEJBFUSLJV-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.12
Rot. Bonds7

About 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol

2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 104760779) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID104760779
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCC2(OC)CCOC2)c1
InChIInChI=1S/C15H23NO4/c1-18-13-5-3-4-12(8-13)14(17)9-16-10-15(19-2)6-7-20-11-15/h3-5,8,14,16-17H,6-7,9-11H2,1-2H3
InChIKeyJJBFSEJBFUSLJV-UHFFFAOYSA-N
XLogP1.12
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760706
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 111380854
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
N-[(3-methoxyoxolan-3-yl)methyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 104759729
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81130882
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol (CID 104760779) is 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCC2(OC)CCOC2)c1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JJBFSEJBFUSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-13-5-3-4-12(8-13)14(17)9-16-10-15(19-2)6-7-20-11-15/h3-5,8,14,16-17H,6-7,9-11H2,1-2H3.
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 281.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 104760779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).