3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde

C15H21NO3 — CID 62277796

IUPAC3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
SMILESCOc1cccc(CN(C)CC2(C=O)CCOC2)c1
InChIInChI=1S/C15H21NO3/c1-16(10-15(11-17)6-7-19-12-15)9-13-4-3-5-14(8-13)18-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3
InChIKeyVCEKNVJYFKMNRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds6

About 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde

3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde (PubChem CID 62277796) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
PubChem CID62277796
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
SMILESCOc1cccc(CN(C)CC2(C=O)CCOC2)c1
InChIInChI=1S/C15H21NO3/c1-16(10-15(11-17)6-7-19-12-15)9-13-4-3-5-14(8-13)18-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3
InChIKeyVCEKNVJYFKMNRO-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277927
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277189
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde (CID 62277796) is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde is COc1cccc(CN(C)CC2(C=O)CCOC2)c1.
What is the InChIKey of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde?
The InChIKey is VCEKNVJYFKMNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(10-15(11-17)6-7-19-12-15)9-13-4-3-5-14(8-13)18-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3.
What are the key properties of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde?
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).