1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

C16H25NO4 — CID 104760706

IUPAC1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNCC1(OC)CCOC1
InChIInChI=1S/C16H25NO4/c1-12-4-5-15(19-2)13(8-12)14(18)9-17-10-16(20-3)6-7-21-11-16/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyNPBLCTZXUXGHLN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.43
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol

1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (PubChem CID 104760706) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
PubChem CID104760706
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
SMILESCOc1ccc(C)cc1C(O)CNCC1(OC)CCOC1
InChIInChI=1S/C16H25NO4/c1-12-4-5-15(19-2)13(8-12)14(18)9-17-10-16(20-3)6-7-21-11-16/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyNPBLCTZXUXGHLN-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol (CID 104760706) is 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is COc1ccc(C)cc1C(O)CNCC1(OC)CCOC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
The InChIKey is NPBLCTZXUXGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12-4-5-15(19-2)13(8-12)14(18)9-17-10-16(20-3)6-7-21-11-16/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol?
1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol has a molecular weight of 295.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol is sourced from PubChem (CID 104760706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).