4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol

C15H23NO4 — CID 81130882

IUPAC4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
SMILESCOc1ccc(C(O)CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H23NO4/c1-19-13-4-2-12(3-5-13)14(17)10-16-11-15(18)6-8-20-9-7-15/h2-5,14,16-18H,6-11H2,1H3
InChIKeyQAMCWWCQXZZFEI-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.86
Rot. Bonds6

About 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol

4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol (PubChem CID 81130882) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
PubChem CID81130882
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
SMILESCOc1ccc(C(O)CNCC2(O)CCOCC2)cc1
InChIInChI=1S/C15H23NO4/c1-19-13-4-2-12(3-5-13)14(17)10-16-11-15(18)6-8-20-9-7-15/h2-5,14,16-18H,6-11H2,1H3
InChIKeyQAMCWWCQXZZFEI-UHFFFAOYSA-N
XLogP0.86
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889
1-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65115912
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445
3-[[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 106100744
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol (CID 81130882) is 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol is COc1ccc(C(O)CNCC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol?
The InChIKey is QAMCWWCQXZZFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-19-13-4-2-12(3-5-13)14(17)10-16-11-15(18)6-8-20-9-7-15/h2-5,14,16-18H,6-11H2,1H3.
What are the key properties of 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol?
4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol has a molecular weight of 281.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).