4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol

C15H23NO3 — CID 115746890

IUPAC4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCOc1cccc(CN(C)CC2(O)CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-16(12-15(17)6-8-19-9-7-15)11-13-4-3-5-14(10-13)18-2/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyMGTQSDJIRJDMFU-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.67
Rot. Bonds5

About 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 115746890) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID115746890
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCOc1cccc(CN(C)CC2(O)CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-16(12-15(17)6-8-19-9-7-15)11-13-4-3-5-14(10-13)18-2/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyMGTQSDJIRJDMFU-UHFFFAOYSA-N
XLogP1.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
CID 62277796
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol (CID 115746890) is 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol is COc1cccc(CN(C)CC2(O)CCOCC2)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is MGTQSDJIRJDMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(12-15(17)6-8-19-9-7-15)11-13-4-3-5-14(10-13)18-2/h3-5,10,17H,6-9,11-12H2,1-2H3.
What are the key properties of 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 115746890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).