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

C15H23NO3 — CID 103061404

IUPAC3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(CN(C)CC2COCCC2O)cc1
InChIInChI=1S/C15H23NO3/c1-16(10-13-11-19-8-7-15(13)17)9-12-3-5-14(18-2)6-4-12/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyQVZLAMKQMGYXQY-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.52
Rot. Bonds5

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

3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 103061404) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID103061404
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(CN(C)CC2COCCC2O)cc1
InChIInChI=1S/C15H23NO3/c1-16(10-13-11-19-8-7-15(13)17)9-12-3-5-14(18-2)6-4-12/h3-6,13,15,17H,7-11H2,1-2H3
InChIKeyQVZLAMKQMGYXQY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057820
3-[[3-methoxypropyl(methyl)amino]methyl]oxan-4-ol
CID 103061552
3-[[2,2-dimethylpropyl(methyl)amino]methyl]oxan-4-ol
CID 103061455
3-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 103061385
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166
[5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62436799
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62299610
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240195
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
(3S,5S)-3,5-bis[(4-methoxyphenyl)methyl]oxan-4-ol
CID 95987412
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol (CID 103061404) is 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol is COc1ccc(CN(C)CC2COCCC2O)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is QVZLAMKQMGYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(10-13-11-19-8-7-15(13)17)9-12-3-5-14(18-2)6-4-12/h3-6,13,15,17H,7-11H2,1-2H3.
What are the key properties of 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol?
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 265.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 103061404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).